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Publications

Institut für Pharmazie, Abteilung Pharmakognosie

Publikationen 2017

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Hochleitner, J.; Akram, M.; Ueberall, M.; Davis, R.A.; Waltenberger, B.; Stuppner, H.; Sturm, S.; Ueberall, F.; Gostner, J.M.; Schuster, D. (2017): A combinatorial approach for the discovery of cytochrome P450 2D6 inhibitors from nature.
    In: Scientific Reports 7, No. 8071. (DOI) (Weblink)

  • PEDUTO, A.; SCUOTTO, M.; KRAUTH, V.; ROVIEZZO, F.; ROSSI, A.; TEMML, V.; ESPOSITO, V.; STUPPNER, H.; SCHUSTER, D.; D´AGOSTINO, B.; SCHIRALDI, C.; DE ROSA, M.; WERZ, O.; FILOSA, R. (2017): Optimization of benzoquinone and hydroquinone derivatives as potent inhibitors of human 5-lipoxygenase.
    In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 127, S. 715 - 726. (DOI) (Weblink)

  • TEMML, V.; GARSCHA, U.; ROMP, E.; SCHUBERT, G.; GERSTMEIER, J.; KUTIL, Z.; MATUSZCZAK, B.; WALTENBERGER, B.; STUPPNER, H.; WERZ, O.; SCHUSTER, D. (2017): Discovery of the first dual inhibitor of the 5-lipoxygenase-activating protein and soluble epoxide hydrolase using pharmacophore-based virtual screening.
    In: Scientific Reports 7, No. 42751. (DOI) (Weblink)

  • VUORINEN, A.; ENGELI, RT.; LEUGGER, S.; BACHMANN, F.; AKRAM, M.; ATANASOV, AG.; WALTENBERGER, B.; TEMML, V.; STUPPNER, H.; KRENN, L.; ATEBA, SB.; NJAMEN, D.; DAVIS, RA.; ODERMATT, A.; SCHUSTER, D. (2017): Potential Antiosteoporotic Natural Product Lead Compounds That Inhibit 17β-Hydroxysteroid Dehydrogenase Type 2.
    In: Journal of Natural Products 80/4, S. 965 - 974. (DOI)

Beitrag in Proceedingsband (Abstract)
  • TEMML, V.; GARSCHA, U.; ROMP, E.; SCHUBERT, G.; GERSTMEIER, J.; KUTIL, Z.; MATUSZCZAK, B.; WALTENBERGER, B.; STUPPNER, H.; WERZ, O.; SCHUSTER, D. (2017): Discovery of the first dual inhibotor of 5-lipoxygenase-activating protein and solulble epoxide hydrolase using pharmacophore-based virtual screening.
    In: Grasse, M.; Heinrichs, C. (Eds.): Abstract Book of the Life Science PhD Meeting, Innsbruck, 18.04. – 19.04.2017. Innsbruck: Eigenverlag - Universität Innsbruck / Innsbruck: Medizinische Universität Innsbruck, S. 79. (Weblink)

  • TEMML, V; GARSCHA, U.; ROMP, E.; SCHUBERT, G.; GERSTMEIER, J.; KUTIL, Z.; MATUSZCZAK, B.; WALTENBERGER, B.; STUPPNER, H.; WERZ, O.; SCHUSTER, D (2017): Discovery of the first dual inhibotor of 5-lipoxygenase-activating protein and solulble epoxide hydrolase using pharmacophore-based virtual screening.
    In: Stuppner, H.; Borchard, G.; Brenneisen, R.; Griesser, U.; Gstrein, E.: Book of Abstracts - Pharma2030 - Current and Future Challenges. A Joint Meeting of the Austrian Pharmaceutical Society (ÖPhG) and the Swiss Academy of Pharmaceutical Sciences (SAPhS), April 20-22, 2017. Innsbruck: Eigenverlag - Universität Innsbruck, S. 8.

Patente

Patent
  • RICHOMME, P.; HELESBEUX, J-J.; GUILET, D.; SERAPHIN, D.; STUPPNER, H.; WALTENBERGER, B.; SCHUSTER, D.; TEMML, V.; KOEBERLE, A.; WERZ, O.: Preparation of tocotrienol derivatives, pharmaceutical composition and method of use in 5-​lipoxygenase related diseases. World Intellectual Property Organization, WO/2017/032881 (2017).

Publikationen 2016

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • ALSABIL, K.; SUOR-CHERER, S.; KOEBERLE, A.; VIAULT, G.; LAVAUD, A.; TEMML, V.; WALTENBERGER, B.; SCHUSTER, D.; LITAUDON, M.; LORKOWSKI, S.; DE VAUMAS, R.; HELESBEUX, J-J.; GUILET, D.; STUPPNER, H.; WERZ, O.; SERAPHIN, D.; RICHOMME, P. (2016): Semisynthetic and Natural Garcinoic Acid Isoforms as New mPGES-1 Inhibitors.
    In: Planta Medica 82/11/12, S. 1110 - 1116. (DOI)

  • SCHAIBLE, A.M.; FILOSA, R.; KRAUTH, V.; TEMML, V.; PACE, S.; GARSCHA, U.; LIENING, S.; WEINIGEL, C.; RUMMLER, S.; SCHIEFERDECKER, S.; NETT, M.; PEDUTO, A.; COLLARILE, S.; SCUOTTO, M.; ROVIEZZO, F.; SPAZIANO, G.; DE ROSA, M.; STUPPNER, H.; SCHUSTER, D.; D´AGOSTINO, B.; WERZ, O. (2016): The 5-​lipoxygenase inhibitor RF-​22c potently suppresses leukotriene biosynthesis in cellulo and blocks bronchoconstriction and inflammation in vivo.
    In: Biochemical Pharmacology 112, S. 60 - 71. (DOI)

  • SCHARINGER, B.; MESSNER, B.; TÜRKCAN, A.; SCHUSTER, D.; VUORINEN, A.; PITTERL, F.; HEINZ, K.; ARNHARD, K.; LAUFER, G.; GRIMM, M.; STUPPNER, H.; OBERACHER, H.; ELLER, P.; RITSCH, A.; BERNHARD, D. (2016): Leoligin, the major lignan from edelweiss, inhibits 3-hydroxy-3-methyl-glutaryl-CoA reductase and reduces cholesterol levels in ApoE −/− mice.
    In: JOURNAL OF MOLECULAR AND CELLULAR CARDIOLOGY 99, S. 35 - 46. (DOI)

  • WALTENBERGER, B.; GARSCHA, U.; TEMML, V.; LIERS, J.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2016): Discovery of Potent Soluble Epoxide Hydrolase (sEH) Inhibitors by Pharmacophore-Based Virtual Screening.
    In: Journal of Chemical Information and Modeling 56/4, S. 747 - 762. (DOI)

  • Zatelli, G.A.; Temml, V.; Kutil, Z.; Landa, P.; Vanek, T.; Schuster, D.; Falkenberg, M. (2016): Miconidin Acetate and Primin as Potent 5-Lipoxygenase Inhibitors from Brazilian Eugenia hiemalis (Myrtaceae).
    In: Planta Medica Letters 3/1, S. e17 - e19. (DOI)

Zeitschriftenaufsatz (Review)
  • WALTENBERGER, B.; ATANASOV, A.G.; HEISS, E.H.; BERNHARD, D.; ROLLINGER, J.M.; BREUSS, J.M.; SCHUSTER, D.; BAUER, R.; KOPP, B.; FRANZ, C.; BOCHKOV, V.; MIHOVILOVIC, M.D.; DIRSCH, V.M.; STUPPNER, H. (2016): Drugs from nature targeting inflammation (DNTI): a successful Austrian interdisciplinary network project.
    In: Monatshefte für Chemie - Chemical Monthly 147/3, S. 479 - 491. (DOI)

Beitrag in Proceedingsband (Abstract)
  • WALTENBERGER, B.; GARSCHA, U.; TEMML, V.; LIERS, J.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2016): Pharmacophore modeling and virtual screening for the discovery of potent soluble Epoxide hydrolase (sEH) inhibitors.
    In: Hobmayer, Bert; Micura, Ronald; Striessnig, Jörg: Book of Abstracts - 6th CMBI Meeting. Gnadenwald, March 3-4, 2016. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 12. (Weblink)

Publikationen 2015

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • GRIENKE, U.; KASERER, T.; PFLUGER, F.; MAIR, C.E.; LANGER, T.; SCHUSTER, D.; ROLLINGER, J.M. (2015): Accessing biological actions of Ganoderma secondary metabolites by in silico profiling.
    In: Phytochemistry 114, S. 114 - 124. (DOI)

  • GRIENKE, U.; MAIR, C.E.; SAXENA, P.; BABURIN, I.; SCHEEL, O.; GANZERA, M.; SCHUSTER, D.; HERING, S.; ROLLINGER, J.M. (2015): Human Ether-à-go-go Related Gene (hERG) Channel Blocking Aporphine Alkaloids from Lotus Leaves and Their Quantitative Analysis in Dietary Weight Loss Supplements.
    In: Journal of Agricultural and Food Chemistry 63/23, S. 5634 - 5639. (DOI)

  • KASERER, T.; HÖFERL, M.; MÜLLER, K.; ELMER, S.; GANZERA, M.; JÄGER, W.; SCHUSTER, D. (2015): In silico predictions of drug-drug interactions caused by CYP1A2, 2C9 and 3A4 inhibition – a comparative study of virtual screening performance.
    In: Molecular Informatics 34/6-7, S. 431 - 457. (DOI) (Weblink)

  • Kaserer, T.; Temml, V.; Kutil, Z.; Vanek, T.; Landa, P.; Schuster, D. (2015): Prospective performance evaluation of selected common virtual screening tools. Case study : Cyclooxygenase (COX) 1 and 2.
    In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 96, S. 445 - 457. (DOI) (Weblink)

  • Kutil, Z.; Kvasnicova, M.; Temml, V.; Schuster, D.; Marsik, P.; Cusimamani, E.F.; Lou, J.D.; Vanek, T.; Landa, P. (2015): Effect of Dietary Stilbenes on 5-Lipoxygenase and Cyclooxygenases Activities In Vitro.
    In: INTERNATIONAL JOURNAL OF FOOD PROPERTIES 18/7, S. 1471 - 1477. (DOI) (Weblink)

  • Kutil, Z.; Kvasnicova, M.; Temml, V.; Schuster, D.; Vanek, T.; Fernandez, E.; Malik, J.; Landa, P. (2015): The influence of the quinone antioxidants tert-butylhydroquinone and 2,5-di-tert-butylhydroquinone on the arachidonic acid metabolism in vitro.
    In: FOOD AND AGRICULTURAL IMMUNOLOGY 26/4, S. 504 - 511. (DOI) (Weblink)

  • SEEBACHER, W.; FAIST, J.; PRESSER, A.; WEIS, R.; SAF, R.; KASERER, T.; TEMML, V.; SCHUSTER, D.; ORTMANN, S.; OTTO, N.; BAUER, R. (2015): Synthesis of new 4-phenylpyrimidine-2(1H)-thiones and their potency to inhibit COX-1 and COX-2.
    In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 101, S. 552 - 559. (DOI)

Zeitschriftenaufsatz (Review)
  • ATANASOV, A.G.; WALTENBERGER, B.; PFERSCHY-WENZIG, E.M.; LINDER, T.; WAWROSCH, C.; UHRIN, P.; TEMML, V.; WANG, L.; SCHWAIGER, S.; HEISS, E.H.; ROLLINGER, J.M.; SCHUSTER, D.; BREUSS, J.M.; BOCHKOV, V.; MIHOVILOVIC, M.D.; KOPP, B.; BAUER, R.; DIRSCH, V.M.; STUPPNER, H. (2015): Discovery and resupply of pharmacologically active plant-derived natural products: A review.
    In: BIOTECHNOLOGY ADVANCES 33/8, S. 1582 - 1614. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • ZATELLI, GA.; TEMML, V.; KUTIL, Z.; LANDA, P.; VANEK, T.; FALKENBERG, M.; SCHUSTER, D. (2015): Miconidin acetate, a natural 5-lipoxygenase (5-LOX) inhibitor from Eugenia hiemalis Camb. (Myrtaceae).
    In: Planta Medica 81/16, S. 1441. (DOI)

Beitrag in Proceedingsband (Abstract)
  • GRIENKE, U.; MAIR, C.E.; SAXENA, P.; BABURIN, I.; SCHEEL, O.; GANZERA, M.; SCHUSTER, D.; HERING, S.; ROLLINGER, J.M. (2015): hERG channel inhibiting alkaloids from Nelumbo nucifera: How safe is the "Lotus Leaf Diet"?
    In: Book of Abstracts - 24th Scientifc Congress of the Austrian Pharmaceutical Society (ÖPhG). Wien: Universität Wien, S. 23.

Publikationen 2014

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • FAKHRUDIN, N.; WALTENBERGER, B.; CABARAVDIC, M.; ATANASOV, A.G.; MALAINER, C.; SCHACHNER, D.; HEISS, E.H.; LIU, R.; NOHA, S.M.; GRZYWACZ, A.M.; MIHALY-BISON, J.; AWAD, E.M.; SCHUSTER, D.; BREUSS, J.M.; ROLLINGER, J.M.; BOCHKOV, V.; STUPPNER, H.; DIRSCH, V.M. (2014): Identification of plumericin as a potent new scaffold inhibitor of the NF-kB pathway with anti-inflammatory activity in vitro and in vivo.
    In: BRITISH JOURNAL OF PHARMACOLOGY 171/7, S. 1676 - 1686. (DOI) (Weblink)

  • KRATZ, J.M.; SCHUSTER, D.; EDTBAUER, M.; SAXENA, P.; MAIR, C.E.; KIRCHEBNER, J.; MATUSZCZAK, B.; BABURIN, I.; HERING, S.; ROLLINGER, J.M. (2014): Experimentally Validated hERG Pharmacophore Models as Cardiotoxicity Prediction Tools.
    In: Journal of Chemical Information and Modeling 54/10, S. 2887 - 2901. (DOI) (Weblink)

  • KRAUTSCHEID, Y.; SENNING, C.J.A.; SARTORI, S.; SINGEWALD, N.; SCHUSTER, D.; STUPPNER H. (2014): Pharmacophore Modeling, Virtual Screening, and in Vitro Testing Reveal Haloperidol, Eprazinone, and Fenbutrazate as Neurokinin Receptors Ligands.
    In: Journal of Chemical Information and Modeling 54/6, S. 1747 - 1757. (DOI)

  • VUORINEN, A.; NASHEV, L.G.; ODERMATT, A.; ROLLINGER, J.M.; SCHUSTER, D. (2014): Pharmacophore model refinement for 11β-hydroxysteroid dehydrogenase inhibitors: Search for modulators of intracellular glucocorticoid concentrations.
    In: Molecular Informatics 33/1, S. 15 - 25. (DOI)

Zeitschriftenaufsatz (Review)
  • WANG, L.; WALTENBERGER, B.; PFERSCHY-WENZIG, E-M.; BLUNDER, M.; LIU, X.; MALAINER, C.; BLAZEVIC, T.; SCHWAIGER, S.; ROLLINGER, J.-M.; HEISS, EH.; SCHUSTER, D.; KOPP, B.; BAUER, R.; STUPPNER, H.; DIRSCH, VM.; ATANASOV, A.G. (2014): Natural product agonists of peroxisome proliferator-activated receptor gamma (PPARγ): a review.
    In: Biochemical Pharmacology 92/1, S. 73 - 89. (DOI)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Assimopoulou, A.; Vuorinen, A.; Seibert, J.; Papageorgiou, V.; Odermatt, A.; Schuster, D.; Rollinger, J. (2014): Pistacia lentiscus oleoresin: virtual screening and in vitro 11β-hydroxysteroid dehydrogenase 1 inhibition.
    In: Planta Medica 80/16, S. P1L145. (DOI) (Weblink)

  • GRIENKE, U.; MAIR, C.M.; SAXENA, P.; KRATZ, J.M.; BABURIN, I.; SCHUSTER, D.; HERING, S.; ROLLINGER, J.M. (2014): The ‘Lotus Leave Diet’ – A life-threatening experience? hERG channel blocking aporphine alkaloids from Nelumbo nucifera Gaertn.
    In: Planta Medica 80/16, S. 1370. (DOI)

Beitrag in Proceedingsband (Abstract)
  • GRIENKE, U.; MAIR, C.M.; SAXENA, P.; KRATZ, J.M.; BABURIN, I.; SCHUSTER, D.; HERING, S.; ROLLINGER, J.M. (2014): The ‘Lotus Leave Diet’ – A life-threatening experience? hERG channel blocking aporphine alkaloids from Nelumbo nucifera Gaertn.
    In: Book of Abstracts - 62nd International Congress and Annual Meeting of the Society for Medicinal Plant and Natural Product Research, Guimaraes, 31.08.2014 - 04.09.2014. Guimarães: University of Minho, S. 64 - 65.

  • KASERER, T.; MÜLLER, K.; ELMER, S.; GANZERA, M.; SCHUSTER, D. (2014): Prediction of drug-drug interactions caused by CYP1A2 inhibition – a comparative study of virtual screening performance.
    In: Book of Abstracts - 23rd Scientific Congress of the Austrian Pharmaceutical Society. Graz: Karl-Franzens Universität Graz, S. 44.

  • KASERER, T.; TEMML, V.; KUTIL, Z.; MÜLLER, K.; ELMER, S.; GANZERA, M.; LANDA, P.; SCHUSTER, D. (2014): Performance evaluation of common virtual screening tools on selected representatives of different target classes.
    In: Book of Abstracts - 6th Life Science Meeting. Innsbruck: Eigenverlag - Universität Innsbruck, S. 19.

  • SARTORI, S.; MAURER, V.; KRAUTSCHEID, Y.; STUPPNER, H.; SCHUSTER, D.; ERDMANN, F.; PAPE, HC.; MURPHY, C.; SCHMUCKERMAIR, C.; WHITTLE, N.; SINGEWALD, N. (2014): Targeting the neuropeptide S system for preventing the return of learned fear: augmentation strategies.
    In: Book of Abstracts - 6th Life Science Meeting. Innsbruck: Eigenverlag - Universität Innsbruck, S. 57.

  • SCHUSTER, D.; ELMER, S.; BACHMANN, F.; SAXENA, P.; MAIR, C.E.; GRIENKE, U.; KASERER, T.; MEYER, A.; VUORINEN, A.; BABURIN, I.; GANZERA, M.; STUPPNER, H.; HERING, S.; ODERMATT, A.; ROLLINGER, J.M. (2014): Pharmacophore-based virtual screening unveils unexpected off-targets effects of natural compounds.
    In: Book of Abstracts - International Symposium "Natural Products and Drug Discovery - Future Perspectives". Innsbruck: Eigenverlag - Universität Innsbruck.

  • SCHUSTER, D.; KASERER, T.; GRIENKE, U.; MAIR, C.E.; SAXENA, P.; KRATZ, J.M.; BABURIN, I.; HERING, S.; ROLLINGER, J.M. (2014): How reliable are hERG block predictions by in silico activity profiling?
    In: Book of Abstracts - 6th Life Science Meeting. Innsbruck: Eigenverlag - Universität Innsbruck, S. 61.

  • TEMML, V.; KASERER, T.; STEFANOVIC, I.; VON GRAFENSTEIN, S.; FUCHS, J.E.; LIEDL, K.R.; SCHUSTER, D. (2014): Natural products interacting with 5-lipoxygenase –but how and where?
    In: Book of Abstracts - International Symposium "Natural Products and Drug Discovery - Future Perspectives". Innsbruck: Eigenverlag - Universität Innsbruck.

  • WALTENBERGER, B.; LIERS, J.; TEMML, V.; GARSCHA, U.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2014): Identification of potent soluble epoxide hydrolase (sEH) inhibitors by pharmacophore modeling and virtual screening.
    In: Book of Abstracts - 23rd Scientific Congress of the Austrian Pharmaceutical Society. Graz: Karl-Franzens Universität Graz, S. 33.

  • WALTENBERGER, B.; LIERS, J.; TEMML, V.; GARSCHA, U.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2014): Pharmacophore Modeling and Virtual Screening for Soluble Epoxide Hydrolase (sEH) Inhibitors.
    In: Book of Abstracts - International Symposium "Natural Products and Drug Discovery - Future Perspectives". Innsbruck: Eigenverlag - Universität Innsbruck.

Lehrbuchbeitrag, wissenschaftlicher
  • PFISTERER, P.; SCHUSTER, D.; ROLLINGER, J.M.; STUPPNER, H. (2014): In silico-guided strategies for the discovery and rationalization of bioactive natural products.
    In: Chen, Shilin; Marston, Andrew; Stuppner, Hermann (Hrsg.): Handbook of Chemical and Biological Plant Analytical Methods. Weinheim: Wiley-VCH, ISBN 978-1-119-95275-6, Bd. Volume III, S. 949 - 966. (DOI)

Publikationen 2013

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Atanasov, A.G.; Wang, J.N.; Gu, S.P.; Bu, J.; Kramer, M.P.; Baumgartner, L.; Fakhrudin, N.; Ladurner, A.; Malainer, C.; Vuorinen, A.; Noha, S.M.; Schwaiger, S.; Rollinger, J.M.; Schuster, D.; Stuppner, H.; Dirsch, V.M.; Heiss, E.H. (2013): Honokiol: A non-adipogenic PPARγ agonist from nature.
    In: BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1830/10, S. 4813 - 4819. (DOI)

  • Kuehnl, S.; Schroecksnadel, S.; Temml, V.; Gostner, J.M.; Schennach, H.; Schuster, D.; Schwaiger, S.; Rollinger, J.M.; Fuchs, D.; Stuppner, H. (2013): Lignans from Carthamus tinctorius suppress tryptophan breakdown via indoleamine 2,3-dioxygenase.
    In: PHYTOMEDICINE 20/13, S. 1190 - 1195. (DOI)

  • Temml, Veronika; Kuehnl, S.; Schuster, Daniela; Schwaiger, Stefan; Stuppner, Herrmann; Fuchs, D. (2013): Interaction of Carthamus tinctorius lignan arctigenin with the binding site of tryptophan-degrading enzyme indoleamine 2,3-dioxygenase.
    In: FEBS Open Bio 3, S. 450 - 452. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Kratz, J.M.; Edtbauer, M.; Mair, C.E.; Hering, S.; Schuster, D.; Rollinger, J.M. (2013): Pharmacophore-based identification of novel hERG channel blockers of natural origin - Development of a virtual screening workflow and experimental validation.
    In: Planta Medica 79/13, S. 1113. (DOI)

Beitrag in Proceedingsband (Abstract)
  • KASERER, T.; LAZIC, M.; TEMML, V.; SCHWAIGER, S.; STUPPNER, H.; SCHUSTER, D. (2013): Application of in silico profiling tools for the prediction and rationalization of natural product biological activities.
    In: Trends in natural products research: a young scientists meeting of PSE and ÖPhG. Book of Abstracts. Leicester: Phytochemical Society of Europe, ISBN 978-0-9565472-3-1, S. 33.

  • KRAUTSCHEID, Y.; SCHUSTER, D.; SCHWAIGER, S.; SARTORI, S.; SINGEWALD, N.; STUPPNER, H. (2013): Discovery of the first non-peptidergic NPSR-agonists by pharmacophore based virtual screening and in vitro studies.
    In: 5. ÖGMBT Annual Meeting / 5th Life Science Meeting of the Innsbruck Universities & Biophysics Austria. Book of abstracts. Österreichische Gesellschaft für Molekulare Biowissenschaften und Biotechnologie (ÖGMBT), S. 106.

  • KRAUTSCHEID, Y.; SENNING, CJA.; SCHWAIGER, S.; SARTORI, S.; SCHUSTER, D.; STUPPNER, H. (2013): Ligand-based pharmacophore modeling leads to the identification of sclareol, lobeline, and azaspirene as neurokinine receptor ligands.
    In: Book of Abstracts - DPhG Annual Meeting 2013 - Drug discovery inspired by Nature. 09.10.2013 - 11.10.2013, Freiburg, Deutschland. Freiburg i. Br.: Albert-Ludwigs-Universität Freiburg, S. 160 - 161.

  • SCHUSTER, D.; EDTBAUER, M.; KRATZ, J. M.; MAIR, C. E.; HERING, S.; ROLLINGER, J. M. (2013): Finding hERG-Blockers among Natural Products: Virtual Screening Workflow and Expermintal Validation of Hits.
    In: Trends in natural products research: a young scientists meeting of PSE and ÖPhG. Book of Abstracts. Leicester: Phytochemical Society of Europe, ISBN 978-0-9565472-3-1, S. 31.

  • SCHUSTER, D.; EDTBAUER, M.; KRATZ, J.M.; MAIR, C.E.; HERING, S.; ROLLINGER, J.M. (2013): Finding hERG-Blockers among Natural Products: Virtual Screening Workflow and Experimental Validation of Hits.
    In: 5. ÖGMBT Annual Meeting / 5th Life Science Meeting of the Innsbruck Universities & Biophysics Austria. Book of abstracts. Österreichische Gesellschaft für Molekulare Biowissenschaften und Biotechnologie (ÖGMBT), S. 98.

  • SCHUSTER, D.; EDTBAUER, M.; KRATZ, J.M.; MAIR, C.E.; HERING, S.; ROLLINGER, J.M. (2013): Pharmacophore-based virtual screening as a prioritization tool to assess mechanism-based cardiotoxic effects of small organic molecules.
    In: Book of Abstracts - EUROTOX 2013 - 49th Congress of the European Societies of Toxicology. 01.09.2013 - 04.09.2013, Interlaken, Schweiz. Swiss Society of Toxicology, S. 95.

  • TEMML, V.; WINEKENSTÄDDE, D.; VOSS, C.; ROLLINGER, J. M.; STUPPNER, H.; DIRSCH, V.; SCHUSTER, D (2013): Identification of new LXR-ß modulators by in silico screening and biological evaluation.
    In: Trends in natural products research: a young scientists meeting of PSE and ÖPhG. Book of Abstracts. Leicester: Phytochemical Society of Europe, ISBN 978-0-9565472-3-1, S. 32.

Publikationen 2012

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • BAUER, J.; WALTENBERGER, B.; NOHA, S. M.; SCHUSTER, D.; ROLLINGER, J.M.; BOUSTIE, J.; CHOLLET, M.; STUPPNER, H.; WERZ, O. (2012): Discovery of Depsides and Depsidones from Lichen as Potent Inhibitors of Microsomal Prostaglandin E2 Synthase-1 Using Pharmacophore Models.
    In: ChemMedChem 7/12, S. 2077 - 2081. (DOI) (Weblink)

  • NOHA, S.M.; JAZZAR, B.; KÜHNL, S.; ROLLINGER, J.M.; STUPPNER, H.; SCHAIBLE, A.M.; WERZ, O.; WOLBER, G.; SCHUSTER, D. (2012): Pharmacophore-based discovery of a novel cytosolic phospholipase A2α inhibitor.
    In: Bioorganic & Medicinal Chemistry Letters 22/2, S. 1202 - 1207. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • KRAUTSCHEID, Y.; NOHA, S.; SCHUSTER, D.; SARTORI, S.; SINGEWALD, N.; SCHWAIGER, S.; STUPPNER, H. (2012): Potential anxiolytics acting via the neuropeptide s-receptor.
    In: Planta Medica 78/11, S. 1103. (DOI) (Weblink)

Beitrag in Proceedingsband (Abstract)
  • ATANASOV, A.G.; HEISS, E.H.; WANG, J.N.; GU, S.P.; BU, J.; KRAMER, M.P.; BAUMGARTNER, L.; FAKHRUDIN, N.; LADURNER, A.; MALAINER, C.; VUORINEN, A.; NOHA, S.M.; SCHWAIGER, S.; ROLLINGER, J.M.; SCHUSTER, D.; STUPPNER, H.; DIRSCH, V.M. (2012): Discovery and characterization of honokiol from Magnolia bark as a novel promising PPARγ Agonist.
    In: Book of Abstracts -13th Congress of the International Society for Ethnopharmacology. Graz: Karl-Franzens Universität Graz, S. 230.

  • FAKHRUDIN, N.; WALTENBERGER, B.; CABARAVDIC, M.; ATANASOV, A.G.; HEISS, E.H.; NOHA, S.M.; GRZYWACZ, A.M.; MIHALY-BISON, J.; SCHUSTER, D.; BREUSS, J.M.; ROLLINGER, J.M.; BOCHKOV, V.; STUPPNER, H.; DIRSCH, V.M. (2012): Plumericin is a novel potent NF-κB inhibitor isolated from Himatanthus sucuuba.
    In: Book of Abstracts -13th Congress of the International Society for Ethnopharmacology. Graz: Karl-Franzens Universität Graz, S. 15. (Weblink)

Publikationen 2011

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • DUWENSEE, K.; SCHWAIGER, S.; TANCEVSKI, I.; ELLER, K.; VAN ECK, M.; MARKT, P.; LINDER, T.; STANZL, U.; RITSCH, A.; PATSCH, J.R.; SCHUSTER, D.; STUPPNER, H.; BERNHARD, D.; ELLER, P. (2011): Leoligin, the major lignan from Edelweiss, activates cholesteryl ester transfer protein.
    In: Atherosclerosis 219/1, S. 109 - 115. (DOI)

  • GRIENKE, U.; MIHALY-BISON, J.; SCHUSTER, D.; AFONYUSHKIN, T.; BINDER, M.; GUAN, S-H.; CHENG, C-R.; WOLBER, G.; STUPPNER, H.; GUO, D-A.; BOCHKOV, V.N.; ROLLINGER, J.M. (2011): Pharmacophore-based discovery of FXR-agonists. Part II: Identification of bioactive triterpenes from Ganoderma lucidum.
    In: Bioorganic & Medicinal Chemistry 19/22, S. 6779 - 6791. (DOI)

  • NOHA, S.M.; ATANASOV, A.G.; SCHUSTER, D.; MARKT, P.; FAKHRUDIN, N.; HEISS, E.H.; SCHRAMMEL, O.; ROLLINGER, J.M.; STUPPNER, H.; DIRSCH, V.M.; WOLBER, G. (2011): Discovery of a novel IKK-β inhibitor by ligand-based virtual screening techniques.
    In: Bioorganic & Medicinal Chemistry Letters 21/1, S. 577 - 583. (DOI)

  • PFISTERER, P.H.; SHEN, C.; NIKOLOVSKA-COLESKA, Z.; SCHYSCHKA, L.; SCHUSTER, D.; RUDY, A.; WOLBER, G.; VOLLMAR, A.M.; ROLLINGER, J.M.; STUPPNER, H. (2011): In silico discovery of acylated flavonol monorhamnosides from Eriobotrya japonica as natural, small-molecular weight inhibitors of XIAP BIR3.
    In: Bioorganic & Medicinal Chemistry 19/2, S. 1002 - 1009. (DOI)

  • SCHUSTER, D.; MARKT, P.; GRIENKE, U.; MIHALY-BISON, J.; BINDER, M.; NOHA, S.M.; ROLLINGER, J.M.; STUPPNER, H.; BOCHKOV, V.N.; WOLBER, G. (2011): Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation.
    In: Bioorganic & Medicinal Chemistry 19/23, S. 7168 - 7180. (DOI)

  • WALTENBERGER, B.; SCHUSTER, D.; PARAMAPJON, S.; GRITSANAPAN, W.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H. (2011): Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part II: Identification of enzyme inhibitors from Prasaplai, a Thai traditional medicine.
    In: PHYTOMEDICINE 18/2-3, S. 119 - 133. (DOI) (Weblink)

  • WALTENBERGER, B.; WIECHMANN, K.; BAUER, J.; MARKT, P.; NOHA, S.M.; WOLBER, G.; ROLLINGER, J.M.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2011): Pharmacophore Modeling and Virtual Screening for Novel Acidic Inhibitors of Microsomal Prostaglandin E2 Synthase-1 (mPGES-1).
    In: JOURNAL OF MEDICINAL CHEMISTRY 54/9, S. 3163 - 3174. (DOI)

Zeitschriftenaufsatz (Review)
  • Kirchmair, Johannes; Distinto, Simona; Liedl, Klaus R.; Markt, Patrick; Rollinger, Judith M.; Schuster, Daniela; Spitzer, Gudrun M.; Wolber, Gerhard (2011): Development of Anti-Viral Agents Using Molecular Modeling and Virtual Screening Techniques.
    In: Infectious Disorders - Drug Targets 11/1, S. 64 - 93. (DOI)

Zeitschriftenbeitrag (Meeting-Abstract)
  • GRIENKE, U.; MIHALY BISON, J.; SCHUSTER, D.; GUO, D.; GUAN, S.; CHENG, C.; BOCHKOV, V.N.; BINDER, B.R.; WOLBER, G.; STUPPNER, H.; ROLLINGER, J.M. (2011): In silico approaches to identify FXR-inducing constituents from Ganoderma lucidum - the Chinese mushroom of immortality.
    In: Planta Medica 77/12, S. 1243. (DOI)

Beitrag in Proceedingsband (Abstract)
  • BRANDSTÖTTER, S.; KRATSCHMAR, D.V.; SCHUSTER, D.; PFISTERER, P.H.; STUPPNER, H.; WOLBER, G.; ODERMATT, A.; ROLLINGER, J.M. (2011): Identification of anti-diabetic triterpenes from Eriobotrya japonica inhibiting 11β-HSD1.
    In: 3rd Life Science Meeting. Innsbruck Universities, Igls, 23.-24.September 2011. Book of Abstracts. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 73.

  • GRIENKE, U.; MIHALY-BISON, J.; SCHUSTER, D.; AFONYUSHKIN, T.; BINDER, M.; GUAN, S.H.; CHENG, C.R.; WOLBER, G.; STUPPNER, H.; GUO, D.A.; BOCHKOV, V.N.; ROLLINGER, J.M. (2011): A nuclear receptor as drugable target for natural products: In silico-guided discovery of FXR-agonistic triterpenes from Ganoderma lucidum.
    In: Stuppner, H; Schubert-Zsilavecz, M.: Shaping the future - Trends and perspectives in pharmaceutical sciences. Book of Abstracts - Joint Meeting of the Austrian and German Pharmaceutical Societies, Innsbruck, 20.09.2011 - 23.09.2011. Innsbruck: Eigenverlag - Universität Innsbruck, S. 143. (Weblink)

  • GRIENKE, U.; MIHALY-BISON, J.; SCHUSTER, D.; AFONYUSHKIN, T.; BINDER, M.; GUAN, S.H.; CHENG, C.R.; WOLBER, G.; STUPPNER, H.; GUO, D.A.; BOCHKOV, V.N.; ROLLINGER, J.M. (2011): A nuclear receptor as drugable target for natural products: In silico-guided discovery of FXR-agonistic triterpenes from Ganoderma lucidum.
    In: 3rd Life Science Meeting. Innsbruck Universities, Igls, 23.-24.September 2011. Book of Abstracts. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 74.

  • KRAUTSCHEID, Y.; NOHA, S.M.; SCHUSTER, D.; SARTORI, S.; SINGEWALD, G.; SCHWAIGER, S.; STUPPNER, H. (2011): Pharmacophore modeling of neuropeptide S receptor ligands.
    In: Stuppner, H; Schubert-Zsilavecz, M.: Shaping the future - Trends and perspectives in pharmaceutical sciences. Book of Abstracts - Joint Meeting of the Austrian and German Pharmaceutical Societies, Innsbruck, 20.09.2011 - 23.09.2011. Innsbruck: Eigenverlag - Universität Innsbruck, S. 217. (Weblink)

  • NOHA, S.M.; WOLBER, G.; STUPPNER, H.; JAHRSDÖRFER, B.; SIMMET, T.; SCHUSTER, D. (2011): Discovery of a noval Granzyme B inhibitor by pharmacophore-based and docking-based virtual screening.
    In: Stuppner, H; Schubert-Zsilavecz, M.: Shaping the future - Trends and perspectives in pharmaceutical sciences. Book of Abstracts - Joint Meeting of the Austrian and German Pharmaceutical Societies, Innsbruck, 20.09.2011 - 23.09.2011. Innsbruck: Eigenverlag - Universität Innsbruck, S. 221. (Weblink)

  • WALTENBERGER, B.; WIECHMANN, K.; BAUER, J.; MARKT, P.; NOHA, S.M.; WOLBER, G.; ROLLINGER, J.M.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2011): Microsomal prostaglandin E2 synthase-1 (mPGES-1): Pharmacophore modeling and virtual screening leading novel acidic inhibitors.
    In: Stuppner, H; Schubert-Zsilavecz, M.: Shaping the future - Trends and perspectives in pharmaceutical sciences. Book of Abstracts - Joint Meeting of the Austrian and German Pharmaceutical Societies, Innsbruck, 20.09.2011 - 23.09.2011. Innsbruck: Eigenverlag - Universität Innsbruck, S. 229. (Weblink)

Publikationen 2010

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • FAKHRUDIN, N.; LADURNER, A.; ATANASOV, A.G.; HEISS, E.H.; BAUMGARTNER, L.; MARKT, P.; SCHUSTER, D.; ELLMERER, E.P.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H.; DIRSCH, V. (2010): Computer-Aided Discovery, Validation, and Mechanistic Characterization of Novel Neolignan Activators of PPARγ.
    In: MOLECULAR PHARMACOLOGY 77/4, S. 559 - 566. (DOI) (Weblink)

  • ROLLINGER, J.M.; KRATSCHMAR, D.V.; SCHUSTER, D.; PFISTERER, P.; GUMY, C.; AUBRY, E.M.; BRANDSTÖTTER, S.; ELLMERER, E.P.; STUPPNER, H.; WOLBER, G.; ODERMATT, A. (2010): 11ß-hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational approaches.
    In: Bioorganic & Medicinal Chemistry 18/4, S. 1507 - 1515. (DOI) (Weblink)

  • SCHUSTER, D.; Kern, L.; Hristozov, D. P.; Terfloth, L.; Bienfait, B.; Laggner, C.; Kirchmair, J.; Grienke, U.; Wolber, G.; Langer, T.; Stuppner, H.; Gasteiger, J.; Rollinger, J. M. (2010): Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors.
    In: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING 13/1, S. 54 - 66. (DOI)

  • SCHUSTER, D.; SPETEA, M.; MUSIC, M.; RIEF, S.; FINK, M.; KIRCHMAIR, J.; SCHÜTZ, J.; WOLBER, G.; LANGER, T.; STUPPNER, H.; SCHMIDHAMMER, H.; ROLLINGER, J.M. (2010): Morphinans and isoquinolines: Acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors.
    In: Bioorganic & Medicinal Chemistry 18/14, S. 5071 - 5080. (DOI) (Weblink)

  • SCHUSTER, D.; WALTENBERGER, B.; KIRCHMAIR, J.; DISTINTO, S.; MARKT, P.; STUPPNER, H.; ROLLINGER, J.M.; WOLBER, G. (2010): Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part I: Model generation, validation and applicability in ethnopharmacology.
    In: Molecular Informatics 29/1 - 2, S. 75 - 86. (DOI)

Zeitschriftenbeitrag (Meeting-Abstract)
  • FAKHRUDIN, N.; Ladurner, A.; Atanasov, A.G.; Heiss, E.H.; Baumgartner, L.; Markt, P.; Schuster, D.; Ellmerer, E.; Wolber, G.; Rollinger, J. M.; Dirsch, V. M. (2010): Discovery and mechanistic characterization of neolignans as PPAR-gamma agonists.
    In: FEBS Journal 277/Suppl. 1, S. 68 - 69. (DOI)

  • PFISTERER, P.; NIKOLOVSKA-COLESKA, Z.; SCHYCHKA, L.; SCHUSTER, D.; RUDY, A.; WOLBER, G.; VOLLMAR, A.; ROLLINGER, J.M.; STUPPNER, H. (2010): Acylated flavonol monorhamnosides from Eriobotrya japonica as XIAP BIR3 inhibitors revealed by in silico and HPLC-SPE-NMR techniques.
    In: Planta Medica 76/12, S. 1344.

  • ROLLINGER, J.M.; KRATSCHMAR, D.V.; SCHUSTER, D.; PFISTERER, P.H.; BRANDSTÖTTER, S.; STUPPNER, H.; WOLBER, G.; ODERMATT, A. (2010): In silico access for the discovery of 11b-hydroxysteroid dehydrogenase 1 inhibiting triterpenes from Eriobotrya japonica.
    In: Planta Medica 76/12, S. 1181. (DOI)

  • WALTENBERGER, B.; SCHUSTER, D.; PARAMAPOJN, S.; GRITSANAPAN, W.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H. (2010): In silico strategy for the identification of COX inhibitors from the Thai medicinal mixture Prasaplai.
    In: Planta Medica 76/12, S. 1173. (DOI)

Beitrag in Proceedingsband (Abstract)
  • BAUMGARTNER, L.; SOSA, S.; FAKHRUDIN, N.; ATANASOV, A.G.; HEISS, E.H.; WIDOWITZ, U.; SCHUSTER, D.; ROLLINGER, J.M.; WOLBER, G.; BAUER, R.; DIRSCH, V.M.; TUBARO, A.; STUPPNER, H. (2010): Evaluation of the anti-inflammatory properties of secondary metabolites from Ratanhiae radix.
    In: International Symposium "Drugs from Nature Targeting Inflammation", Book of Abstracts. Innsbruck, 08.04.2010 - 10.04.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck.

  • FAKHRUDIN, N.; LADURNER, A.; ATANASOV, A.G.; HEISS, E.H.; BAUMGARTNER, L.; MARKT, P.; SCHUSTER, D.; ELLMERER, E.P.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H.; DIRSCH, V. (2010): Neolignans as novel ppar-gamma agonists: A computational guided discovery.
    In: International Symposium "Drugs from Nature Targeting Inflammation", Book of Abstracts. Innsbruck, 08.04.2010 - 10.04.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck.

  • GRIENKE, U.; MIHALY-BISON, J.; SCHUSTER, D.; GUO, D.-A.; BINDER, B.R.; WOLBER, G.; STUPPNER, H.; ROLLINGER, J.M (2010): In silico strategies in natural product research to combat inflammation and lifestyle diseases: Identification of FXR-inducing triterpenes from Ganoderma lucidum.
    In: 6th Meeting of PhD Students from Innsbruck´s Medical University and of the Life Science Disciplines of the Leopold-Franzens-University Innsbruck. Book of Abstracts, Innsbruck, Austria, 24.11.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 101.

  • NOHA, S.; JAZZAR, B.; SEITZ, T.; SCHUSTER, D.; ROLLINGER, J.M.; STUPPNER, H.; WERZ, O.; WOLBER, G. (2010): Discovery of novel CPLA2-A Inhibitors using pharmacophore-based virtual screening.
    In: International Symposium "Drugs from Nature Targeting Inflammation", Book of Abstracts. Innsbruck, 08.04.2010 - 10.04.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck.

  • WALTENBERGER, B.; SCHUSTER, D.; PARAMAPOJN, S.; GRITSANAPAN, W.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H. (2010): Identification of cyclooxygenase inhibitors from Prasaplai, a thai traditional medicine, via virtual parallel screening.
    In: International Symposium "Drugs from Nature Targeting Inflammation", Book of Abstracts. Innsbruck, 08.04.2010 - 10.04.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck.

  • WALTENBERGER, B.; WIECHMANN, K.; SCHUSTER, D.; WOLBER, G.; ROLLINGER, J.M.; WERZ, O.; STUPPNER, H. (2010): In silico discovery of novel acidic microsomal prostaglandin E2 synthase 1 inhibitors.
    In: 6th Meeting of PhD Students from Innsbruck´s Medical University and of the Life Science Disciplines of the Leopold-Franzens-University Innsbruck. Book of Abstracts, Innsbruck, Austria, 24.11.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 110.

Patente

Patent
  • ROLLINGER, J.M.; PRAST, H.; SCHUSTER, D.; LANGER, T.; HORNICK, A.; STUPPNER, H.: Morphinan-6-one compounds for the treatment or prevention of neurodegenerative diseases. European Patent Office, EP2010/007697 (2010).

Publikationen 2009

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Markt, Patrick; Feldmann, Clemens; Rollinger, Judith M.; Raduner, Stefan; Schuster, Daniela; Kirchmair, Johannes; Distinto, Simona; Spitzer, Gudrun M.; Wolber, Gerhard; Laggner, Christian; Altmann, Karl-Heinz; Langer, Thierry; Gertsch, Jürg (2009): Discovery of Novel CB2 Receptor Ligands by a Pharmacophore-based Virtual Screening Workflow.
    In: JOURNAL OF MEDICINAL CHEMISTRY 52/2, S. 369 - 378. (DOI)

  • Rollinger, J. M.; Schuster, D.; Danzl, B.; Schwaiger, S.; Markt, P.; Schmidtke, M.; Gertsch, J.; Raduner, S.; Wolber, G.; Langer, T.; Stuppner, H. (2009): In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens.
    In: Planta Medica 75/3, S. 195 - 204. (DOI)

Zeitschriftenbeitrag (Correction: Selbstkorrektur)
  • ROLLINGER, J. M.; Schuster, D.; Danzl, B.; Schwaiger, S.; Markt, P.; Schmidtke, M.; Gertsch, J.; Raduner, S.; Wolber, G.; Langer, T.; Stuppner, H. (2009): Erratum: In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens.
    In: Planta Medica 75/3, S. 293.

Beitrag in Proceedingsband (Abstract)
  • WALTENBERGER, B.; SCHUSTER, D.; PARAMAPOJN, S.; GRITSANAPAN, W.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H. (2009): Identification of cyclooxygenase inhibitors from Prasaplai, a Thai traditional medicine, via virtual parallel screening.
    In: LIFE SCIENCE Meeting. Innsbruck Universities. Igls, Tyrol. September 18 - 19, 2009. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 64. (Weblink)

Publikationen 2008

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • ROLLINGER, J. M.; STEINDL, T. M.; SCHUSTER, D.; KIRCHMAIR, J.; ANRAIN, K.; ELLMERER, E. P.; LANGER, T.; STUPPNER, H.; WUTZLER, P.; SCHMIDTKE, M. (2008): Structure-based virtual screening for the discovery of natural inhibitors for human rhinovirus coat protein.
    In: JOURNAL OF MEDICINAL CHEMISTRY 51/4, S. 842 - 851. (DOI)

Publikationen 2007

Beiträge in Büchern / Zeitschriften

Zeitschriftenbeitrag (Meeting-Abstract)
  • PFISTERER, P.; SCHUSTER, D.; ROLLINGER, J.M.; LANGER, T.; STUPPNER, H. (2007): Computer-aided discovery of Smac-mimetics within the plant kingdom.
    In: Planta Medica 73/9, S. 898 - 899.

Publikationen 2006

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • ROLLINGER, J. M.; SCHUSTER, D.; BAIER, E.; ELLMERER, E. P.; LANGER, T.; STUPPNER, H. (2006): Taspine: Bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangiana.
    In: Journal of Natural Products 69/9, S. 1341 - 1346. (DOI)

Zeitschriftenbeitrag (Meeting-Abstract)
  • ROLLINGER, J. M.; BAIER, E.; SCHUSTER, D.; LAGGNER, C.; ELLMERER, E. P.; LANGER, T.; STUPPNER, H. (2006): Taspine - A Potent Acetylcholinesterase Inhibiting Alkaloid from Magnolia soulangiana.
    In: Scientia Pharmaceutica 74, S. 99.




Institut für Pharmazie, Abteilung Pharmakologie und Toxikologie

Publikationen 2014

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • KRAUTSCHEID, Y.; SENNING, C.J.A.; SARTORI, S.; SINGEWALD, N.; SCHUSTER, D.; STUPPNER H. (2014): Pharmacophore Modeling, Virtual Screening, and in Vitro Testing Reveal Haloperidol, Eprazinone, and Fenbutrazate as Neurokinin Receptors Ligands.
    In: Journal of Chemical Information and Modeling 54/6, S. 1747 - 1757. (DOI)

Beitrag in Proceedingsband (Abstract)
  • SARTORI, S.; MAURER, V.; KRAUTSCHEID, Y.; STUPPNER, H.; SCHUSTER, D.; ERDMANN, F.; PAPE, HC.; MURPHY, C.; SCHMUCKERMAIR, C.; WHITTLE, N.; SINGEWALD, N. (2014): Targeting the neuropeptide S system for preventing the return of learned fear: augmentation strategies.
    In: Book of Abstracts - 6th Life Science Meeting. Innsbruck: Eigenverlag - Universität Innsbruck, S. 57.

Publikationen 2013

Beiträge in Büchern / Zeitschriften

Beitrag in Proceedingsband (Abstract)
  • KRAUTSCHEID, Y.; SCHUSTER, D.; SCHWAIGER, S.; SARTORI, S.; SINGEWALD, N.; STUPPNER, H. (2013): Discovery of the first non-peptidergic NPSR-agonists by pharmacophore based virtual screening and in vitro studies.
    In: 5. ÖGMBT Annual Meeting / 5th Life Science Meeting of the Innsbruck Universities & Biophysics Austria. Book of abstracts. Österreichische Gesellschaft für Molekulare Biowissenschaften und Biotechnologie (ÖGMBT), S. 106.

  • KRAUTSCHEID, Y.; SENNING, CJA.; SCHWAIGER, S.; SARTORI, S.; SCHUSTER, D.; STUPPNER, H. (2013): Ligand-based pharmacophore modeling leads to the identification of sclareol, lobeline, and azaspirene as neurokinine receptor ligands.
    In: Book of Abstracts - DPhG Annual Meeting 2013 - Drug discovery inspired by Nature. 09.10.2013 - 11.10.2013, Freiburg, Deutschland. Freiburg i. Br.: Albert-Ludwigs-Universität Freiburg, S. 160 - 161.

Publikationen 2012

Beiträge in Büchern / Zeitschriften

Zeitschriftenbeitrag (Meeting-Abstract)
  • KRAUTSCHEID, Y.; NOHA, S.; SCHUSTER, D.; SARTORI, S.; SINGEWALD, N.; SCHWAIGER, S.; STUPPNER, H. (2012): Potential anxiolytics acting via the neuropeptide s-receptor.
    In: Planta Medica 78/11, S. 1103. (DOI) (Weblink)

Publikationen 2011

Beiträge in Büchern / Zeitschriften

Beitrag in Proceedingsband (Abstract)
  • KRAUTSCHEID, Y.; NOHA, S.M.; SCHUSTER, D.; SARTORI, S.; SINGEWALD, G.; SCHWAIGER, S.; STUPPNER, H. (2011): Pharmacophore modeling of neuropeptide S receptor ligands.
    In: Stuppner, H; Schubert-Zsilavecz, M.: Shaping the future - Trends and perspectives in pharmaceutical sciences. Book of Abstracts - Joint Meeting of the Austrian and German Pharmaceutical Societies, Innsbruck, 20.09.2011 - 23.09.2011. Innsbruck: Eigenverlag - Universität Innsbruck, S. 217. (Weblink)

Publikationen 2010

Patente

Patent
  • ROLLINGER, J.M.; PRAST, H.; SCHUSTER, D.; LANGER, T.; HORNICK, A.; STUPPNER, H.: Morphinan-6-one compounds for the treatment or prevention of neurodegenerative diseases. European Patent Office, EP2010/007697 (2010).




Institut für Pharmazie, Abteilung Pharmazeutische Chemie

Publikationen 2017

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Beck, K.R.; Bächler, M.; Vuorinen, A.; Wagner, S.; Akram, M.; Griesser, U.; Temml, V.; Klusonova, P.; Yamaguchi, H.; Schuster, D.; Odermatt, A. (2017): Inhibition of 11β-hydoxysteroid dehydrogenase 2 by the fungicides itraconazole and posaconazole.
    In: Biochemical Pharmacology 130, S. 93 - 103. (DOI)

  • Engeli, R.T.; Rohrer, S.R.; Vuorinen, A.; Herdlinger, S.; Kaserer, T.; Leugger, S.; Schuster, D.; Odermatt, A. (2017): Interference of Paraben Compounds with Estrogen Metabolism by Inhibition of 17β-Hydroxysteroid Dehydrogenases.
    In: International Journal Of Molecular Sciences 18/9, No. 2007. (DOI) (Weblink)

  • Garscha, U.; Romp, E.; Pace, S.; Rossi, A.; Temml, V.; Schuster, D.; König, S.; Gerstmeier, J.; Liening, S.; Werner, M.; Atze, H.; Wittmann, S.; Weinigel, C.; Rummler, S.; Scriba, G.K.; Sautebin, L.; Werz, O. (2017): Pharmacological profile and efficiency in vivo of diflapolin, the first dual inhibitor of 5-lipoxygenase-activating protein and soluble epoxide hydrolase.
    In: Scientific Reports 7, No. 9398. (DOI) (Weblink)

  • Hochleitner, J.; Akram, M.; Ueberall, M.; Davis, R.A.; Waltenberger, B.; Stuppner, H.; Sturm, S.; Ueberall, F.; Gostner, J.M.; Schuster, D. (2017): A combinatorial approach for the discovery of cytochrome P450 2D6 inhibitors from nature.
    In: Scientific Reports 7, No. 8071. (DOI) (Weblink)

  • Obermoser, V.; Mauersberger, R.; Schuster, D.; Czifersky, M.; Lipova, M.; Siegl, M.; Kintscher, U.; Gust, R. (2017): Importance of 5/6-aryl substitution on the pharmacological profile of 4ʹ-((2-propyl-1H-benzo[d]imidazol-1-yl)methyl)-[1,1ʹ-biphenyl]-2-carboxylic acid derived PPARγ agonists.
    In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 126, S. 590 - 603. (DOI)

  • PEDUTO, A.; SCUOTTO, M.; KRAUTH, V.; ROVIEZZO, F.; ROSSI, A.; TEMML, V.; ESPOSITO, V.; STUPPNER, H.; SCHUSTER, D.; D´AGOSTINO, B.; SCHIRALDI, C.; DE ROSA, M.; WERZ, O.; FILOSA, R. (2017): Optimization of benzoquinone and hydroquinone derivatives as potent inhibitors of human 5-lipoxygenase.
    In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 127, S. 715 - 726. (DOI) (Weblink)

  • TEMML, V.; GARSCHA, U.; ROMP, E.; SCHUBERT, G.; GERSTMEIER, J.; KUTIL, Z.; MATUSZCZAK, B.; WALTENBERGER, B.; STUPPNER, H.; WERZ, O.; SCHUSTER, D. (2017): Discovery of the first dual inhibitor of the 5-lipoxygenase-activating protein and soluble epoxide hydrolase using pharmacophore-based virtual screening.
    In: Scientific Reports 7, No. 42751. (DOI) (Weblink)

  • VUORINEN, A.; ENGELI, RT.; LEUGGER, S.; BACHMANN, F.; AKRAM, M.; ATANASOV, AG.; WALTENBERGER, B.; TEMML, V.; STUPPNER, H.; KRENN, L.; ATEBA, SB.; NJAMEN, D.; DAVIS, RA.; ODERMATT, A.; SCHUSTER, D. (2017): Potential Antiosteoporotic Natural Product Lead Compounds That Inhibit 17β-Hydroxysteroid Dehydrogenase Type 2.
    In: Journal of Natural Products 80/4, S. 965 - 974. (DOI)

  • Vuorinen, A; Engeli, RT; Leugger, S; Kreutz, C; Schuster, D; Odermatt, A; Matuszczak, B (2017): Phenylbenzenesulfonates and -sulfonamides as 17β-hydroxysteroid dehydrogenase type 2 inhibitors: Synthesis and SAR-analysis.
    In: Bioorganic & Medicinal Chemistry Letters 27/13, S. 2982 - 2985. (DOI) (Weblink)

Zeitschriftenaufsatz (Review)
  • Beck, K.R.; Kaserer, T.; Schuster, D.; Odermatt, A. (2017): Virtual screening applications in short-chain dehydrogenase/reductase research.
    In: JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY 171, S. 157 - 177. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Beck, K.R.; Kratschmar, D.; Meyer, A.; Schuster, D.; Odermatt, A. (2017): Inhibition of 11β-hydroxysteroid dehydrogenase 2 by the fungicides itraconazole and posaconazole.
    In: Endocrine Abstracts. (Weblink)

Beitrag in Proceedingsband (Abstract)
  • TEMML, V.; GARSCHA, U.; ROMP, E.; SCHUBERT, G.; GERSTMEIER, J.; KUTIL, Z.; MATUSZCZAK, B.; WALTENBERGER, B.; STUPPNER, H.; WERZ, O.; SCHUSTER, D. (2017): Discovery of the first dual inhibotor of 5-lipoxygenase-activating protein and solulble epoxide hydrolase using pharmacophore-based virtual screening.
    In: Grasse, M.; Heinrichs, C. (Eds.): Abstract Book of the Life Science PhD Meeting, Innsbruck, 18.04. – 19.04.2017. Innsbruck: Eigenverlag - Universität Innsbruck / Innsbruck: Medizinische Universität Innsbruck, S. 79. (Weblink)

  • TEMML, V; GARSCHA, U.; ROMP, E.; SCHUBERT, G.; GERSTMEIER, J.; KUTIL, Z.; MATUSZCZAK, B.; WALTENBERGER, B.; STUPPNER, H.; WERZ, O.; SCHUSTER, D (2017): Discovery of the first dual inhibotor of 5-lipoxygenase-activating protein and solulble epoxide hydrolase using pharmacophore-based virtual screening.
    In: Stuppner, H.; Borchard, G.; Brenneisen, R.; Griesser, U.; Gstrein, E.: Book of Abstracts - Pharma2030 - Current and Future Challenges. A Joint Meeting of the Austrian Pharmaceutical Society (ÖPhG) and the Swiss Academy of Pharmaceutical Sciences (SAPhS), April 20-22, 2017. Innsbruck: Eigenverlag - Universität Innsbruck, S. 8.

Patente

Patent
  • RICHOMME, P.; HELESBEUX, J-J.; GUILET, D.; SERAPHIN, D.; STUPPNER, H.; WALTENBERGER, B.; SCHUSTER, D.; TEMML, V.; KOEBERLE, A.; WERZ, O.: Preparation of tocotrienol derivatives, pharmaceutical composition and method of use in 5-​lipoxygenase related diseases. World Intellectual Property Organization, WO/2017/032881 (2017).

Publikationen 2016

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • ALSABIL, K.; SUOR-CHERER, S.; KOEBERLE, A.; VIAULT, G.; LAVAUD, A.; TEMML, V.; WALTENBERGER, B.; SCHUSTER, D.; LITAUDON, M.; LORKOWSKI, S.; DE VAUMAS, R.; HELESBEUX, J-J.; GUILET, D.; STUPPNER, H.; WERZ, O.; SERAPHIN, D.; RICHOMME, P. (2016): Semisynthetic and Natural Garcinoic Acid Isoforms as New mPGES-1 Inhibitors.
    In: Planta Medica 82/11/12, S. 1110 - 1116. (DOI)

  • Beck, K.R.; Sommer, T.; Schuster, D.; Odermatt, A. (2016): Evaluation of tetrabromobisphenol A effects on human glucocorticoid and androgen receptors: a comparison of results from human- with yeast-based in vitro assays.
    In: TOXICOLOGY 370, S. 70 - 77. (Weblink)

  • Kaserer, T.; Rigo, R.; Schuster, P.; Alcaro, S.; Sissi, C.; Schuster, D. (2016): Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands.
    In: Journal of Chemical Information and Modeling 56/3, S. 484 - 500. (DOI)

  • Kaserer, Teresa; Lantero, Aquilino; Schmidhammer, Helmut; Spetea, Mariana; Schuster, Daniela (2016): µ Opioid Receptor: novel antagonists and structural modeling.
    In: Scientific Reports 6, No. 21548. (DOI) (Weblink)

  • Kaserer, Teresa; Obermoser, Victoria; Weninger, Alexander; Gust, Ronald; Schuster, Daniela (2016): Evaluation of selected 3D virtual screening tools for the prospective identification of peroxisome proliferator-activated receptor (PPAR) γ partial agonists.
    In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 124, S. 49 - 62. (DOI) (Weblink)

  • Kratz, J.M.; Mair, C.E.; Oettl, S.K.; Saxena, P.; Scheel, O.; Schuster, D.; Hering, S.; Rollinger, J.M. (2016): hERG Channel Blocking Ipecac Alkaloids Identified by Combined In Silico – In Vitro Screening.
    In: Planta Medica 82/11/12, S. 1009 - 1015. (DOI)

  • SCHAIBLE, A.M.; FILOSA, R.; KRAUTH, V.; TEMML, V.; PACE, S.; GARSCHA, U.; LIENING, S.; WEINIGEL, C.; RUMMLER, S.; SCHIEFERDECKER, S.; NETT, M.; PEDUTO, A.; COLLARILE, S.; SCUOTTO, M.; ROVIEZZO, F.; SPAZIANO, G.; DE ROSA, M.; STUPPNER, H.; SCHUSTER, D.; D´AGOSTINO, B.; WERZ, O. (2016): The 5-​lipoxygenase inhibitor RF-​22c potently suppresses leukotriene biosynthesis in cellulo and blocks bronchoconstriction and inflammation in vivo.
    In: Biochemical Pharmacology 112, S. 60 - 71. (DOI)

  • SCHARINGER, B.; MESSNER, B.; TÜRKCAN, A.; SCHUSTER, D.; VUORINEN, A.; PITTERL, F.; HEINZ, K.; ARNHARD, K.; LAUFER, G.; GRIMM, M.; STUPPNER, H.; OBERACHER, H.; ELLER, P.; RITSCH, A.; BERNHARD, D. (2016): Leoligin, the major lignan from edelweiss, inhibits 3-hydroxy-3-methyl-glutaryl-CoA reductase and reduces cholesterol levels in ApoE −/− mice.
    In: JOURNAL OF MOLECULAR AND CELLULAR CARDIOLOGY 99, S. 35 - 46. (DOI)

  • WALTENBERGER, B.; GARSCHA, U.; TEMML, V.; LIERS, J.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2016): Discovery of Potent Soluble Epoxide Hydrolase (sEH) Inhibitors by Pharmacophore-Based Virtual Screening.
    In: Journal of Chemical Information and Modeling 56/4, S. 747 - 762. (DOI)

  • Zatelli, G.A.; Temml, V.; Kutil, Z.; Landa, P.; Vanek, T.; Schuster, D.; Falkenberg, M. (2016): Miconidin Acetate and Primin as Potent 5-Lipoxygenase Inhibitors from Brazilian Eugenia hiemalis (Myrtaceae).
    In: Planta Medica Letters 3/1, S. e17 - e19. (DOI)

Zeitschriftenaufsatz (Review)
  • WALTENBERGER, B.; ATANASOV, A.G.; HEISS, E.H.; BERNHARD, D.; ROLLINGER, J.M.; BREUSS, J.M.; SCHUSTER, D.; BAUER, R.; KOPP, B.; FRANZ, C.; BOCHKOV, V.; MIHOVILOVIC, M.D.; DIRSCH, V.M.; STUPPNER, H. (2016): Drugs from nature targeting inflammation (DNTI): a successful Austrian interdisciplinary network project.
    In: Monatshefte für Chemie - Chemical Monthly 147/3, S. 479 - 491. (DOI)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Beck, K.R.; Bächler, M.; Klusonova, A.; Vuorinen, D.; Schuster, D.; Odermatt, A. (2016): Inhibition of 11β-hydroxysteroid dehydrogenase 2 by the fungicides itraconazole and posaconazole.
    In: TOXICOLOGY LETTERS 258/Supplement, S. S116. (Weblink)

Beitrag in Proceedingsband (Abstract)
  • WALTENBERGER, B.; GARSCHA, U.; TEMML, V.; LIERS, J.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2016): Pharmacophore modeling and virtual screening for the discovery of potent soluble Epoxide hydrolase (sEH) inhibitors.
    In: Hobmayer, Bert; Micura, Ronald; Striessnig, Jörg: Book of Abstracts - 6th CMBI Meeting. Gnadenwald, March 3-4, 2016. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 12. (Weblink)

Publikationen 2015

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • GRIENKE, U.; KASERER, T.; PFLUGER, F.; MAIR, C.E.; LANGER, T.; SCHUSTER, D.; ROLLINGER, J.M. (2015): Accessing biological actions of Ganoderma secondary metabolites by in silico profiling.
    In: Phytochemistry 114, S. 114 - 124. (DOI)

  • GRIENKE, U.; MAIR, C.E.; SAXENA, P.; BABURIN, I.; SCHEEL, O.; GANZERA, M.; SCHUSTER, D.; HERING, S.; ROLLINGER, J.M. (2015): Human Ether-à-go-go Related Gene (hERG) Channel Blocking Aporphine Alkaloids from Lotus Leaves and Their Quantitative Analysis in Dietary Weight Loss Supplements.
    In: Journal of Agricultural and Food Chemistry 63/23, S. 5634 - 5639. (DOI)

  • KASERER, T.; HÖFERL, M.; MÜLLER, K.; ELMER, S.; GANZERA, M.; JÄGER, W.; SCHUSTER, D. (2015): In silico predictions of drug-drug interactions caused by CYP1A2, 2C9 and 3A4 inhibition – a comparative study of virtual screening performance.
    In: Molecular Informatics 34/6-7, S. 431 - 457. (DOI) (Weblink)

  • Kaserer, T.; Temml, V.; Kutil, Z.; Vanek, T.; Landa, P.; Schuster, D. (2015): Prospective performance evaluation of selected common virtual screening tools. Case study : Cyclooxygenase (COX) 1 and 2.
    In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 96, S. 445 - 457. (DOI) (Weblink)

  • Kutil, Z.; Kvasnicova, M.; Temml, V.; Schuster, D.; Marsik, P.; Cusimamani, E.F.; Lou, J.D.; Vanek, T.; Landa, P. (2015): Effect of Dietary Stilbenes on 5-Lipoxygenase and Cyclooxygenases Activities In Vitro.
    In: INTERNATIONAL JOURNAL OF FOOD PROPERTIES 18/7, S. 1471 - 1477. (DOI) (Weblink)

  • Kutil, Z.; Kvasnicova, M.; Temml, V.; Schuster, D.; Vanek, T.; Fernandez, E.; Malik, J.; Landa, P. (2015): The influence of the quinone antioxidants tert-butylhydroquinone and 2,5-di-tert-butylhydroquinone on the arachidonic acid metabolism in vitro.
    In: FOOD AND AGRICULTURAL IMMUNOLOGY 26/4, S. 504 - 511. (DOI) (Weblink)

  • Noha, S.M.; Fischer, K.; Koeberle, A.; Garscha, U.; Werz, O.; Schuster, D. (2015): Discovery of novel, non-acidic mPGES-1 inhibitors by virtual screening with a multistep protocol.
    In: Bioorganic & Medicinal Chemistry 23/15, S. 4839 - 4845. (DOI) (Weblink)

  • Schuster, D.; Odermatt, A. (2015): Umweltchemikalien unter der Lupe. Wie Chemikalien den molekularen Wirkmechanismus beeinflussen.
    In: GIT LABOR-FACHZEITSCHRIFT 59, S. 47 - 49. (Weblink)

  • SEEBACHER, W.; FAIST, J.; PRESSER, A.; WEIS, R.; SAF, R.; KASERER, T.; TEMML, V.; SCHUSTER, D.; ORTMANN, S.; OTTO, N.; BAUER, R. (2015): Synthesis of new 4-phenylpyrimidine-2(1H)-thiones and their potency to inhibit COX-1 and COX-2.
    In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 101, S. 552 - 559. (DOI)

  • Vuorinen, A.; Seibert, J.; Papageorgiou, V.P.; Rollinger, J.M.; Odermatt, A.; Schuster, D.; Assimopoulou, A.N. (2015): Pistacia lentiscus var. Chia oleoresin: virtual screening and in vitro 11β-hydroxysteroid dehydrogenase inhibition.
    In: Planta Medica 81/6, S. 525 - 532. (DOI) (Weblink)

  • Vuorinen, Anna; Schuster, Daniela (2015): Methods for generating and applying pharmacophore models as virtual screening filters and for bioactivity profiling.
    In: METHODS 71/1, S. 113 - 134. (Weblink)

Zeitschriftenaufsatz (Review)
  • ATANASOV, A.G.; WALTENBERGER, B.; PFERSCHY-WENZIG, E.M.; LINDER, T.; WAWROSCH, C.; UHRIN, P.; TEMML, V.; WANG, L.; SCHWAIGER, S.; HEISS, E.H.; ROLLINGER, J.M.; SCHUSTER, D.; BREUSS, J.M.; BOCHKOV, V.; MIHOVILOVIC, M.D.; KOPP, B.; BAUER, R.; DIRSCH, V.M.; STUPPNER, H. (2015): Discovery and resupply of pharmacologically active plant-derived natural products: A review.
    In: BIOTECHNOLOGY ADVANCES 33/8, S. 1582 - 1614. (DOI) (Weblink)

  • Kaserer, T.; Beck, K.R.; Akram, M.; Odermatt, A.; Schuster, D. (2015): Pharmacophore models and pharmacophore-based virtual screening: Concepts and applications exemplified on hydroxysteroid dehydrogenases.
    In: MOLECULES 20/12, S. 22799 - 22832. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Fahrner, Nathalie; Follia, Valeria; Noha, Stefan; Schuster, Daniela; Gust, Ronald (2015): Targeting protein-protein interactions of estrogen receptor alpha: Design and synthesis of novel small molecules libraries.
    In: memo - Magazine of European Medical Oncology 8/Issue 2 Supplement, S. 42. (Weblink)

  • Grienke, U.; Kaserer, T.; Pfluger, F.; Mair, C.E.; Schmidtke, M.; Langer, T.; Schuster, D.; Rollinger, J.M. (2015): In silico pharmacological profiling of Ganoderma secondary metabolites to unravel the polypharmacological nature of Reishi.
    In: Planta Medica 81/16, No. PM-110. (DOI) (Weblink)

  • Koeberle, A.; Waltenberger, B.; Temml, V.; Schuster, D.; Sautebin, L.; Stuppner, H.; Richomme, P.; Werz, O. (2015): Vitamin E metabolites as potent inhibitors of 5-lipoxygenase.
    In: Naunyn-Schmiedeberg's Archives of Pharmacology 338/Supp. 1, S. 26. (DOI) (Weblink)

  • ZATELLI, GA.; TEMML, V.; KUTIL, Z.; LANDA, P.; VANEK, T.; FALKENBERG, M.; SCHUSTER, D. (2015): Miconidin acetate, a natural 5-lipoxygenase (5-LOX) inhibitor from Eugenia hiemalis Camb. (Myrtaceae).
    In: Planta Medica 81/16, S. 1441. (DOI)

Sammelbandaufsatz (Originalarbeit)
  • Akram, M.; Kaserer, T.; Schuster, D. (2015): Pharmacophore Modeling and Pharmacophore-Based Virtual Screening.
    In: Cavasotto, Claudio N.: In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications. Boca Raton - [u.a.]: CRC Press, ISBN 978-1-48-221783-4, S. 123 - 154. (Weblink)

Patente

Patent
  • Richomme, P.; Helesbeux, J.J.; Guilet, D.; Seraphin, D.; Stuppner, H.; Waltenberger, B.; Schuster, D.; Temml, V.S.; Koeberle, A.; Werz, O.: Tocotrienol derivatives, pharmaceutical composition and method of use in chronic airway inflammatory disorders. European Patent Office, 15182827.4 – 1462, 20.11.2015 (2015).

Publikationen 2014

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • FAKHRUDIN, N.; WALTENBERGER, B.; CABARAVDIC, M.; ATANASOV, A.G.; MALAINER, C.; SCHACHNER, D.; HEISS, E.H.; LIU, R.; NOHA, S.M.; GRZYWACZ, A.M.; MIHALY-BISON, J.; AWAD, E.M.; SCHUSTER, D.; BREUSS, J.M.; ROLLINGER, J.M.; BOCHKOV, V.; STUPPNER, H.; DIRSCH, V.M. (2014): Identification of plumericin as a potent new scaffold inhibitor of the NF-kB pathway with anti-inflammatory activity in vitro and in vivo.
    In: BRITISH JOURNAL OF PHARMACOLOGY 171/7, S. 1676 - 1686. (DOI) (Weblink)

  • KRATZ, J.M.; SCHUSTER, D.; EDTBAUER, M.; SAXENA, P.; MAIR, C.E.; KIRCHEBNER, J.; MATUSZCZAK, B.; BABURIN, I.; HERING, S.; ROLLINGER, J.M. (2014): Experimentally Validated hERG Pharmacophore Models as Cardiotoxicity Prediction Tools.
    In: Journal of Chemical Information and Modeling 54/10, S. 2887 - 2901. (DOI) (Weblink)

  • KRAUTSCHEID, Y.; SENNING, C.J.A.; SARTORI, S.; SINGEWALD, N.; SCHUSTER, D.; STUPPNER H. (2014): Pharmacophore Modeling, Virtual Screening, and in Vitro Testing Reveal Haloperidol, Eprazinone, and Fenbutrazate as Neurokinin Receptors Ligands.
    In: Journal of Chemical Information and Modeling 54/6, S. 1747 - 1757. (DOI)

  • Kutil, Z.; Temml, V.; Maghradze, D.; Pribylova, M.; Dvorakova, M.; Schuster, D.; Vanek, T.; Landa, P. (2014): Impact of Wines and Wine Constituents on Cyclooxygenase-1, Cyclooxygenase-2, and 5-Lipoxygenase Catalytic Activity.
    In: MEDIATORS OF INFLAMMATION 2014, ID 178931. (Weblink)

  • Liu, X.; Kunert, O.; Blunder, M.; Fakhrudin, N.; Noha, S.M.; Malainer, C.; Schinkovitz, A.; Heiss, E.H.; Atanasov, A.G.; Kollroser, M.; Schuster, D.; Dirsch, V.M.; Bauer, R. (2014): Polyyne hybrid compounds from Notopterygium incisum with peroxisome proliferatur activated receptor gamma agonistic effects.
    In: Journal of Natural Products 77/11, S. 2513 - 2521. (Weblink)

  • Pferschy-Wenzig, Eva-Maria; Atanasov, Atanas G.; Malainer, Clemens; Noha, Stefan M.; Kunert, Olaf; Schuster, Daniela; Heiss, Nicole H.; Oberlies, Nicholas H.; Wagner, Hildebert; Bauer, Rudolf; Dirsch, Verena M. (2014): Identification of Isosilybin A from Milk Thistle Seeds as an Agonist of Peroxisome Proliferator-Activated Receptor Gamma.
    In: Journal of Natural Products 77/4, S. 842 - 847. (DOI)

  • Temml, Veronika; Kaserer, Teresa; Kutil, Zsofia; Landa, Premysl; Vanek, Tomas; Schuster, Daniela (2014): Pharmacophore modeling for COX-1 and -2 inhibitors with LigandScout in comparison to Discovery Studio.
    In: Future Medicinal Chemistry 6/17, S. 1869 - 1881. (Weblink)

  • Verhoff, M.; Seitz, S.; Paul, M.; Northoff, H.; Noha, S.M.; Jauch, J.; Schuster, D.; Werz, O. (2014): Tetra- and Pentacyclic Triterpene Acids from the Ancient Anti-inflammatory Remedy Frankincense as Inhibitors of Microsomal Prostaglandin E2 Synthase-1.
    In: Journal of Natural Products 77/6, S. 1445 - 1451. (DOI)

  • VUORINEN, A.; NASHEV, L.G.; ODERMATT, A.; ROLLINGER, J.M.; SCHUSTER, D. (2014): Pharmacophore model refinement for 11β-hydroxysteroid dehydrogenase inhibitors: Search for modulators of intracellular glucocorticoid concentrations.
    In: Molecular Informatics 33/1, S. 15 - 25. (DOI)

  • Vuorinen, Anna; Engeli, Roger; Meyer, Arne; Bachmann, Fabio; Griesser, Ulrich J.; Schuster, Daniela; Odermatt, Alex (2014): Ligand-Based Pharmacophore Modeling and Virtual Screening for the Discovery of Novel 17β-Hydroxysteroid Dehydrogenase 2 Inhibitors.
    In: JOURNAL OF MEDICINAL CHEMISTRY 57/14, S. 5995 - 6007. (DOI) (Weblink)

Zeitschriftenaufsatz (Review)
  • WANG, L.; WALTENBERGER, B.; PFERSCHY-WENZIG, E-M.; BLUNDER, M.; LIU, X.; MALAINER, C.; BLAZEVIC, T.; SCHWAIGER, S.; ROLLINGER, J.-M.; HEISS, EH.; SCHUSTER, D.; KOPP, B.; BAUER, R.; STUPPNER, H.; DIRSCH, VM.; ATANASOV, A.G. (2014): Natural product agonists of peroxisome proliferator-activated receptor gamma (PPARγ): a review.
    In: Biochemical Pharmacology 92/1, S. 73 - 89. (DOI)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Assimopoulou, A.; Vuorinen, A.; Seibert, J.; Papageorgiou, V.; Odermatt, A.; Schuster, D.; Rollinger, J. (2014): Pistacia lentiscus oleoresin: virtual screening and in vitro 11β-hydroxysteroid dehydrogenase 1 inhibition.
    In: Planta Medica 80/16, S. P1L145. (DOI) (Weblink)

  • GRIENKE, U.; MAIR, C.M.; SAXENA, P.; KRATZ, J.M.; BABURIN, I.; SCHUSTER, D.; HERING, S.; ROLLINGER, J.M. (2014): The ‘Lotus Leave Diet’ – A life-threatening experience? hERG channel blocking aporphine alkaloids from Nelumbo nucifera Gaertn.
    In: Planta Medica 80/16, S. 1370. (DOI)

  • Kaserer, Teresa; Spetea, Mariana; Schmidhammer, Helmut; Schuster, Daniela (2014): Comparative application of common virtual screening tools for the identification of novel μ opioid receptor agonists and antagonists.
    In: Intrinsic Activity 2/Suppl.1, No. A1.38. (Weblink)

Beitrag in Proceedingsband (Abstract)
  • GRIENKE, U.; MAIR, C.M.; SAXENA, P.; KRATZ, J.M.; BABURIN, I.; SCHUSTER, D.; HERING, S.; ROLLINGER, J.M. (2014): The ‘Lotus Leave Diet’ – A life-threatening experience? hERG channel blocking aporphine alkaloids from Nelumbo nucifera Gaertn.
    In: Book of Abstracts - 62nd International Congress and Annual Meeting of the Society for Medicinal Plant and Natural Product Research, Guimaraes, 31.08.2014 - 04.09.2014. Guimarães: University of Minho, S. 64 - 65.

  • KASERER, T.; MÜLLER, K.; ELMER, S.; GANZERA, M.; SCHUSTER, D. (2014): Prediction of drug-drug interactions caused by CYP1A2 inhibition – a comparative study of virtual screening performance.
    In: Book of Abstracts - 23rd Scientific Congress of the Austrian Pharmaceutical Society. Graz: Karl-Franzens Universität Graz, S. 44.

  • KASERER, T.; TEMML, V.; KUTIL, Z.; MÜLLER, K.; ELMER, S.; GANZERA, M.; LANDA, P.; SCHUSTER, D. (2014): Performance evaluation of common virtual screening tools on selected representatives of different target classes.
    In: Book of Abstracts - 6th Life Science Meeting. Innsbruck: Eigenverlag - Universität Innsbruck, S. 19.

  • SARTORI, S.; MAURER, V.; KRAUTSCHEID, Y.; STUPPNER, H.; SCHUSTER, D.; ERDMANN, F.; PAPE, HC.; MURPHY, C.; SCHMUCKERMAIR, C.; WHITTLE, N.; SINGEWALD, N. (2014): Targeting the neuropeptide S system for preventing the return of learned fear: augmentation strategies.
    In: Book of Abstracts - 6th Life Science Meeting. Innsbruck: Eigenverlag - Universität Innsbruck, S. 57.

  • SCHUSTER, D.; ELMER, S.; BACHMANN, F.; SAXENA, P.; MAIR, C.E.; GRIENKE, U.; KASERER, T.; MEYER, A.; VUORINEN, A.; BABURIN, I.; GANZERA, M.; STUPPNER, H.; HERING, S.; ODERMATT, A.; ROLLINGER, J.M. (2014): Pharmacophore-based virtual screening unveils unexpected off-targets effects of natural compounds.
    In: Book of Abstracts - International Symposium "Natural Products and Drug Discovery - Future Perspectives". Innsbruck: Eigenverlag - Universität Innsbruck.

  • SCHUSTER, D.; KASERER, T.; GRIENKE, U.; MAIR, C.E.; SAXENA, P.; KRATZ, J.M.; BABURIN, I.; HERING, S.; ROLLINGER, J.M. (2014): How reliable are hERG block predictions by in silico activity profiling?
    In: Book of Abstracts - 6th Life Science Meeting. Innsbruck: Eigenverlag - Universität Innsbruck, S. 61.

  • TEMML, V.; KASERER, T.; STEFANOVIC, I.; VON GRAFENSTEIN, S.; FUCHS, J.E.; LIEDL, K.R.; SCHUSTER, D. (2014): Natural products interacting with 5-lipoxygenase –but how and where?
    In: Book of Abstracts - International Symposium "Natural Products and Drug Discovery - Future Perspectives". Innsbruck: Eigenverlag - Universität Innsbruck.

  • WALTENBERGER, B.; LIERS, J.; TEMML, V.; GARSCHA, U.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2014): Identification of potent soluble epoxide hydrolase (sEH) inhibitors by pharmacophore modeling and virtual screening.
    In: Book of Abstracts - 23rd Scientific Congress of the Austrian Pharmaceutical Society. Graz: Karl-Franzens Universität Graz, S. 33.

  • WALTENBERGER, B.; LIERS, J.; TEMML, V.; GARSCHA, U.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2014): Pharmacophore Modeling and Virtual Screening for Soluble Epoxide Hydrolase (sEH) Inhibitors.
    In: Book of Abstracts - International Symposium "Natural Products and Drug Discovery - Future Perspectives". Innsbruck: Eigenverlag - Universität Innsbruck.

Lehrbuchbeitrag, wissenschaftlicher
  • PFISTERER, P.; SCHUSTER, D.; ROLLINGER, J.M.; STUPPNER, H. (2014): In silico-guided strategies for the discovery and rationalization of bioactive natural products.
    In: Chen, Shilin; Marston, Andrew; Stuppner, Hermann (Hrsg.): Handbook of Chemical and Biological Plant Analytical Methods. Weinheim: Wiley-VCH, ISBN 978-1-119-95275-6, Bd. Volume III, S. 949 - 966. (DOI)

Publikationen 2013

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Atanasov, A.G.; Blunder, M.; Fakhrudin, N.; Noha, S.M.; Malainer, C.; Kramer, M.P.; Liu, X.; Schinkovitz, A.; Heiss, E.H.; Schuster, D.; Bauer, R.; Dirsch, V.M. (2013): Polyacetylenes from Notopterygium incisum--new selective partial agonists of peroxisome proliferator-activated receptor-gamma.
    In: PLoS One 8/4, S. e61755. (DOI) (Weblink)

  • Atanasov, A.G.; Wang, J.N.; Gu, S.P.; Bu, J.; Kramer, M.P.; Baumgartner, L.; Fakhrudin, N.; Ladurner, A.; Malainer, C.; Vuorinen, A.; Noha, S.M.; Schwaiger, S.; Rollinger, J.M.; Schuster, D.; Stuppner, H.; Dirsch, V.M.; Heiss, E.H. (2013): Honokiol: A non-adipogenic PPARγ agonist from nature.
    In: BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS 1830/10, S. 4813 - 4819. (DOI)

  • Hofer, Sandra; Kratschmar, Denise V.; Schernthanner, Brigitte; Vuorinen, Anna; Schuster, Daniela; Odermatt, Alex; Easmon, Johnny (2013): Synthesis and biological analysis of benzazol-2-yl piperazine sulfonamides as 11β-hydroxysteroid dehydrogenase 1 inhibitors.
    In: Bioorganic & Medicinal Chemistry Letters 23/19, S. 5397 - 5400. (DOI) (Weblink)

  • Kuehnl, S.; Schroecksnadel, S.; Temml, V.; Gostner, J.M.; Schennach, H.; Schuster, D.; Schwaiger, S.; Rollinger, J.M.; Fuchs, D.; Stuppner, H. (2013): Lignans from Carthamus tinctorius suppress tryptophan breakdown via indoleamine 2,3-dioxygenase.
    In: PHYTOMEDICINE 20/13, S. 1190 - 1195. (DOI)

  • Landa, P.; Kutil, Z.; Temml, V.; Malik, J.; Kokoska, L.; Widowitz, U.; Pribylova, M.; Dvorakova, M.; Marsik, P.; Schuster, D.; Bauer, R.; Vanek, T. (2013): Inhibition of in vitro leukotriene B4 biosynthesis in human neutrophil granulocytes and docking studies of natural quinones.
    In: Natural Product Communications 8/1, S. 105 - 108. (Weblink)

  • Meyer, A.; Vuorinen, A.; Zielinska, A. E.; Da Cunha, T.; Strajhar, P.; Lavery, G. G.; Schuster, D.; Odermatt, A. (2013): Carbonyl reduction of triadimefon by human and rodent 11β-hydroxysteroid dehydrogenase 1.
    In: Biochemical Pharmacology 85/9, S. 1370 - 1378. (DOI) (Weblink)

  • Meyer, A.; Vuorinen, A.; Zielinska, A.E.; Strajhar, P.; Lavery, G.G.; Schuster, D.; Odermatt, A. (2013): Formation of threohydrobupropion from bupropion is dependent on 11β-hydroxysteroid dehydrogenase.
    In: DRUG METABOLISM AND DISPOSITION 41/9, S. 1671 - 1678. (DOI) (Weblink)

  • Penno, C.A.; Morgan, S.A.; Vuorinen, A.; Schuster, D.; Lavery, G.G.; Odermatt, A. (2013): Impaired oxidoreduction by 11β-hydroxysteroid dehydrogenase 1 results in the accumulation of 7-oxolithocholic acid.
    In: JOURNAL OF LIPID RESEARCH 54/10, S. 2874 - 2883. (DOI) (Weblink)

  • Schaible, A. M.; Traber, H.; Temml, V.; Noha, S. M.; Filosa, R.; Peduto, A.; Weinigel, C.; Barz, D.; Schuster, D.; Werz, O. (2013): Potent inhibition of 5-lipoxygenase and liposomal prostaglandin E2 synthase-1 by the anti-carcinogenic and anti-inflammatory agent embelin.
    In: Biochemical Pharmacology 86/4, S. 476 - 486. (DOI) (Weblink)

  • Temml, Veronika; Kuehnl, S.; Schuster, Daniela; Schwaiger, Stefan; Stuppner, Herrmann; Fuchs, D. (2013): Interaction of Carthamus tinctorius lignan arctigenin with the binding site of tryptophan-degrading enzyme indoleamine 2,3-dioxygenase.
    In: FEBS Open Bio 3, S. 450 - 452. (DOI) (Weblink)

  • Vuorinen, A.; Odermatt, A.; Schuster, D. (2013): In silico methods in the discovery of endocrine disrupting chemicals.
    In: JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY 137, S. 18 - 26. (DOI) (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • Kratz, J.M.; Edtbauer, M.; Mair, C.E.; Hering, S.; Schuster, D.; Rollinger, J.M. (2013): Pharmacophore-based identification of novel hERG channel blockers of natural origin - Development of a virtual screening workflow and experimental validation.
    In: Planta Medica 79/13, S. 1113. (DOI)

Beitrag in Proceedingsband (Abstract)
  • KASERER, T.; LAZIC, M.; TEMML, V.; SCHWAIGER, S.; STUPPNER, H.; SCHUSTER, D. (2013): Application of in silico profiling tools for the prediction and rationalization of natural product biological activities.
    In: Trends in natural products research: a young scientists meeting of PSE and ÖPhG. Book of Abstracts. Leicester: Phytochemical Society of Europe, ISBN 978-0-9565472-3-1, S. 33.

  • KRAUTSCHEID, Y.; SCHUSTER, D.; SCHWAIGER, S.; SARTORI, S.; SINGEWALD, N.; STUPPNER, H. (2013): Discovery of the first non-peptidergic NPSR-agonists by pharmacophore based virtual screening and in vitro studies.
    In: 5. ÖGMBT Annual Meeting / 5th Life Science Meeting of the Innsbruck Universities & Biophysics Austria. Book of abstracts. Österreichische Gesellschaft für Molekulare Biowissenschaften und Biotechnologie (ÖGMBT), S. 106.

  • KRAUTSCHEID, Y.; SENNING, CJA.; SCHWAIGER, S.; SARTORI, S.; SCHUSTER, D.; STUPPNER, H. (2013): Ligand-based pharmacophore modeling leads to the identification of sclareol, lobeline, and azaspirene as neurokinine receptor ligands.
    In: Book of Abstracts - DPhG Annual Meeting 2013 - Drug discovery inspired by Nature. 09.10.2013 - 11.10.2013, Freiburg, Deutschland. Freiburg i. Br.: Albert-Ludwigs-Universität Freiburg, S. 160 - 161.

  • SCHUSTER, D.; EDTBAUER, M.; KRATZ, J. M.; MAIR, C. E.; HERING, S.; ROLLINGER, J. M. (2013): Finding hERG-Blockers among Natural Products: Virtual Screening Workflow and Expermintal Validation of Hits.
    In: Trends in natural products research: a young scientists meeting of PSE and ÖPhG. Book of Abstracts. Leicester: Phytochemical Society of Europe, ISBN 978-0-9565472-3-1, S. 31.

  • SCHUSTER, D.; EDTBAUER, M.; KRATZ, J.M.; MAIR, C.E.; HERING, S.; ROLLINGER, J.M. (2013): Finding hERG-Blockers among Natural Products: Virtual Screening Workflow and Experimental Validation of Hits.
    In: 5. ÖGMBT Annual Meeting / 5th Life Science Meeting of the Innsbruck Universities & Biophysics Austria. Book of abstracts. Österreichische Gesellschaft für Molekulare Biowissenschaften und Biotechnologie (ÖGMBT), S. 98.

  • SCHUSTER, D.; EDTBAUER, M.; KRATZ, J.M.; MAIR, C.E.; HERING, S.; ROLLINGER, J.M. (2013): Pharmacophore-based virtual screening as a prioritization tool to assess mechanism-based cardiotoxic effects of small organic molecules.
    In: Book of Abstracts - EUROTOX 2013 - 49th Congress of the European Societies of Toxicology. 01.09.2013 - 04.09.2013, Interlaken, Schweiz. Swiss Society of Toxicology, S. 95.

  • TEMML, V.; WINEKENSTÄDDE, D.; VOSS, C.; ROLLINGER, J. M.; STUPPNER, H.; DIRSCH, V.; SCHUSTER, D (2013): Identification of new LXR-ß modulators by in silico screening and biological evaluation.
    In: Trends in natural products research: a young scientists meeting of PSE and ÖPhG. Book of Abstracts. Leicester: Phytochemical Society of Europe, ISBN 978-0-9565472-3-1, S. 32.

Publikationen 2012

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Adhami, H.R.; Kaehlig, H.; Linder, T.; Schuster, D.; Zehl, M.; Krenn, L. (2012): Catechol alkenyls from Semecarpus anacardium: acetylcholinesterase inhibition and binding mode predictions.
    In: JOURNAL OF ETHNOPHARMACOLOGY 139/1, S. 142 - 148. (DOI) (Weblink)

  • BAUER, J.; WALTENBERGER, B.; NOHA, S. M.; SCHUSTER, D.; ROLLINGER, J.M.; BOUSTIE, J.; CHOLLET, M.; STUPPNER, H.; WERZ, O. (2012): Discovery of Depsides and Depsidones from Lichen as Potent Inhibitors of Microsomal Prostaglandin E2 Synthase-1 Using Pharmacophore Models.
    In: ChemMedChem 7/12, S. 2077 - 2081. (DOI) (Weblink)

  • Fürstenberger, C.; Vuorinen, A.; Da Cunha, T.; Kratschmar, D.V.; Saugy, M.; Schuster, D.; Odermatt, A. (2012): The anabolic androgenic steroid fluoxymesterone inhibits 11ß-hydroxysteroid dehydrogenase 2-dependent glucocorticoid inactivation.
    In: TOXICOLOGICAL SCIENCES 126/2, S. 353 - 361.

  • Landa, P.; Kutil, Z.; Temml, V.; Vuorinen, A.; Malik, J.; Dvorakova, M.; Marsik, P.; Kokoska, L.; Pribylova, M.; Schuster, D.; Vanek, T. (2012): Redox and Non-Redox Mechanism of In Vitro Cyclooxygenase Inhibition by Natural Quinones.
    In: Planta Medica 78/4, S. 326 - 333. (DOI)

  • Nashev, L.G.; Vuorinen, A.; Praxmarer, L.; Chantong, B.; Cereghetti, D.; Winiger, R.; Schuster, D.; Odermatt, A. (2012): Virtual Screening as a strategy for the identification of xenobiotics disrupting corticosteroid action.
    In: PLoS One 7/10, S. e46958. (DOI)

  • NOHA, S.M.; JAZZAR, B.; KÜHNL, S.; ROLLINGER, J.M.; STUPPNER, H.; SCHAIBLE, A.M.; WERZ, O.; WOLBER, G.; SCHUSTER, D. (2012): Pharmacophore-based discovery of a novel cytosolic phospholipase A2α inhibitor.
    In: Bioorganic & Medicinal Chemistry Letters 22/2, S. 1202 - 1207. (DOI) (Weblink)

  • Ottanà, R.; Maccari, R.; Amuso, S.; Wolber, G.; Schuster, D.; Herdlinger, S.; Manao, G.; Camici, G.; Paoli, P. (2012): New 4-[(5-arylidene-2-arylimino-4-oxo-3-thiazolidinyl)methyl]benzoic acids active as protein tyrosine phosphatase inhibitors endowed with insulinomimetic effect on mouse C2C12 skeletal muscle cells.
    In: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 50, S. 332 - 343. (DOI)

  • von Grafenstein, Susanne; Mihaly-Bison, Judit; Wolber, Gerhard; Bochkov, Valery N.; Liedl, Klaus R.; Schuster, Daniela (2012): Identification of Novel Liver X Receptor Activators by Structure-Based Modeling.
    In: Journal of Chemical Information and Modeling 52/5, S. 1391 - 1400. (DOI)

Zeitschriftenbeitrag (Meeting-Abstract)
  • KRAUTSCHEID, Y.; NOHA, S.; SCHUSTER, D.; SARTORI, S.; SINGEWALD, N.; SCHWAIGER, S.; STUPPNER, H. (2012): Potential anxiolytics acting via the neuropeptide s-receptor.
    In: Planta Medica 78/11, S. 1103. (DOI) (Weblink)

Beitrag in Proceedingsband (Abstract)
  • ATANASOV, A.G.; HEISS, E.H.; WANG, J.N.; GU, S.P.; BU, J.; KRAMER, M.P.; BAUMGARTNER, L.; FAKHRUDIN, N.; LADURNER, A.; MALAINER, C.; VUORINEN, A.; NOHA, S.M.; SCHWAIGER, S.; ROLLINGER, J.M.; SCHUSTER, D.; STUPPNER, H.; DIRSCH, V.M. (2012): Discovery and characterization of honokiol from Magnolia bark as a novel promising PPARγ Agonist.
    In: Book of Abstracts -13th Congress of the International Society for Ethnopharmacology. Graz: Karl-Franzens Universität Graz, S. 230.

  • FAKHRUDIN, N.; WALTENBERGER, B.; CABARAVDIC, M.; ATANASOV, A.G.; HEISS, E.H.; NOHA, S.M.; GRZYWACZ, A.M.; MIHALY-BISON, J.; SCHUSTER, D.; BREUSS, J.M.; ROLLINGER, J.M.; BOCHKOV, V.; STUPPNER, H.; DIRSCH, V.M. (2012): Plumericin is a novel potent NF-κB inhibitor isolated from Himatanthus sucuuba.
    In: Book of Abstracts -13th Congress of the International Society for Ethnopharmacology. Graz: Karl-Franzens Universität Graz, S. 15. (Weblink)

Medienbeiträge

Beitrag in Zeitung
  • Schuster, D.: Wissenschaft ist weiblich.
    In: Die Tirolerin vom 01.10.2012.

Publikationen 2011

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • DUWENSEE, K.; SCHWAIGER, S.; TANCEVSKI, I.; ELLER, K.; VAN ECK, M.; MARKT, P.; LINDER, T.; STANZL, U.; RITSCH, A.; PATSCH, J.R.; SCHUSTER, D.; STUPPNER, H.; BERNHARD, D.; ELLER, P. (2011): Leoligin, the major lignan from Edelweiss, activates cholesteryl ester transfer protein.
    In: Atherosclerosis 219/1, S. 109 - 115. (DOI)

  • GRIENKE, U.; MIHALY-BISON, J.; SCHUSTER, D.; AFONYUSHKIN, T.; BINDER, M.; GUAN, S-H.; CHENG, C-R.; WOLBER, G.; STUPPNER, H.; GUO, D-A.; BOCHKOV, V.N.; ROLLINGER, J.M. (2011): Pharmacophore-based discovery of FXR-agonists. Part II: Identification of bioactive triterpenes from Ganoderma lucidum.
    In: Bioorganic & Medicinal Chemistry 19/22, S. 6779 - 6791. (DOI)

  • KRATSCHMAR, D. V.; Vuorinen, A.; Da Cunha, T.; Wolber, G.; Classen-Houben, D.; Doblhoff, O.; Schuster, D.; Odermatt, A. (2011): Characterization of activity and binding mode of glycyrrhetinic acid derivatives inhibiting 11β-hydroxysteroid dehydrogenase type 2.
    In: JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY 125/1-2, S. 129 - 142. (Weblink)

  • NOHA, S.M.; ATANASOV, A.G.; SCHUSTER, D.; MARKT, P.; FAKHRUDIN, N.; HEISS, E.H.; SCHRAMMEL, O.; ROLLINGER, J.M.; STUPPNER, H.; DIRSCH, V.M.; WOLBER, G. (2011): Discovery of a novel IKK-β inhibitor by ligand-based virtual screening techniques.
    In: Bioorganic & Medicinal Chemistry Letters 21/1, S. 577 - 583. (DOI)

  • PFISTERER, P.H.; SHEN, C.; NIKOLOVSKA-COLESKA, Z.; SCHYSCHKA, L.; SCHUSTER, D.; RUDY, A.; WOLBER, G.; VOLLMAR, A.M.; ROLLINGER, J.M.; STUPPNER, H. (2011): In silico discovery of acylated flavonol monorhamnosides from Eriobotrya japonica as natural, small-molecular weight inhibitors of XIAP BIR3.
    In: Bioorganic & Medicinal Chemistry 19/2, S. 1002 - 1009. (DOI)

  • SCHUSTER, D.; Kowalik, D.; Kirchmair, J.; Laggner, C.; Markt, P.; Aebischer-Gumy, C.; Möller, G.; Wolber, G.; Wilckens, T.; Langer, T.; Odermatt, A.; Adamski, J. (2011): Identification of chemically diverse, novel inhibitors of 17β-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening.
    In: JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY 125/1-2, S. 148 - 161. (Weblink)

  • SCHUSTER, D.; MARKT, P.; GRIENKE, U.; MIHALY-BISON, J.; BINDER, M.; NOHA, S.M.; ROLLINGER, J.M.; STUPPNER, H.; BOCHKOV, V.N.; WOLBER, G. (2011): Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation.
    In: Bioorganic & Medicinal Chemistry 19/23, S. 7168 - 7180. (DOI)

  • WALTENBERGER, B.; SCHUSTER, D.; PARAMAPJON, S.; GRITSANAPAN, W.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H. (2011): Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part II: Identification of enzyme inhibitors from Prasaplai, a Thai traditional medicine.
    In: PHYTOMEDICINE 18/2-3, S. 119 - 133. (DOI) (Weblink)

  • WALTENBERGER, B.; WIECHMANN, K.; BAUER, J.; MARKT, P.; NOHA, S.M.; WOLBER, G.; ROLLINGER, J.M.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2011): Pharmacophore Modeling and Virtual Screening for Novel Acidic Inhibitors of Microsomal Prostaglandin E2 Synthase-1 (mPGES-1).
    In: JOURNAL OF MEDICINAL CHEMISTRY 54/9, S. 3163 - 3174. (DOI)

Zeitschriftenaufsatz (Review)
  • Kirchmair, Johannes; Distinto, Simona; Liedl, Klaus R.; Markt, Patrick; Rollinger, Judith M.; Schuster, Daniela; Spitzer, Gudrun M.; Wolber, Gerhard (2011): Development of Anti-Viral Agents Using Molecular Modeling and Virtual Screening Techniques.
    In: Infectious Disorders - Drug Targets 11/1, S. 64 - 93. (DOI)

  • MARKT, P; Herdlinger, S.; Schuster, D. (2011): Virtual screening against obesity.
    In: Current Medicinal Chemistry 18/14, S. 2158 - 2173. (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • GRIENKE, U.; MIHALY BISON, J.; SCHUSTER, D.; GUO, D.; GUAN, S.; CHENG, C.; BOCHKOV, V.N.; BINDER, B.R.; WOLBER, G.; STUPPNER, H.; ROLLINGER, J.M. (2011): In silico approaches to identify FXR-inducing constituents from Ganoderma lucidum - the Chinese mushroom of immortality.
    In: Planta Medica 77/12, S. 1243. (DOI)

Sammelbandaufsatz (Originalarbeit)
  • MARKT, P.; Schuster, D.; Langer T. (2011): Pharmacophore models for virtual screening.
    In: SOTRIFFER, C.: Virtual Screening. Principles, Challenges, and Practical Guidelines. Weinheim: Wiley-VCH (= Methods and Principles in Medicinal Chemistry, 48), ISBN 978-3-527-32636-5, Bd. 48, S. 115 - 152. (Weblink)

Beitrag in Proceedingsband (Abstract)
  • BRANDSTÖTTER, S.; KRATSCHMAR, D.V.; SCHUSTER, D.; PFISTERER, P.H.; STUPPNER, H.; WOLBER, G.; ODERMATT, A.; ROLLINGER, J.M. (2011): Identification of anti-diabetic triterpenes from Eriobotrya japonica inhibiting 11β-HSD1.
    In: 3rd Life Science Meeting. Innsbruck Universities, Igls, 23.-24.September 2011. Book of Abstracts. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 73.

  • GRIENKE, U.; MIHALY-BISON, J.; SCHUSTER, D.; AFONYUSHKIN, T.; BINDER, M.; GUAN, S.H.; CHENG, C.R.; WOLBER, G.; STUPPNER, H.; GUO, D.A.; BOCHKOV, V.N.; ROLLINGER, J.M. (2011): A nuclear receptor as drugable target for natural products: In silico-guided discovery of FXR-agonistic triterpenes from Ganoderma lucidum.
    In: Stuppner, H; Schubert-Zsilavecz, M.: Shaping the future - Trends and perspectives in pharmaceutical sciences. Book of Abstracts - Joint Meeting of the Austrian and German Pharmaceutical Societies, Innsbruck, 20.09.2011 - 23.09.2011. Innsbruck: Eigenverlag - Universität Innsbruck, S. 143. (Weblink)

  • GRIENKE, U.; MIHALY-BISON, J.; SCHUSTER, D.; AFONYUSHKIN, T.; BINDER, M.; GUAN, S.H.; CHENG, C.R.; WOLBER, G.; STUPPNER, H.; GUO, D.A.; BOCHKOV, V.N.; ROLLINGER, J.M. (2011): A nuclear receptor as drugable target for natural products: In silico-guided discovery of FXR-agonistic triterpenes from Ganoderma lucidum.
    In: 3rd Life Science Meeting. Innsbruck Universities, Igls, 23.-24.September 2011. Book of Abstracts. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 74.

  • KRAUTSCHEID, Y.; NOHA, S.M.; SCHUSTER, D.; SARTORI, S.; SINGEWALD, G.; SCHWAIGER, S.; STUPPNER, H. (2011): Pharmacophore modeling of neuropeptide S receptor ligands.
    In: Stuppner, H; Schubert-Zsilavecz, M.: Shaping the future - Trends and perspectives in pharmaceutical sciences. Book of Abstracts - Joint Meeting of the Austrian and German Pharmaceutical Societies, Innsbruck, 20.09.2011 - 23.09.2011. Innsbruck: Eigenverlag - Universität Innsbruck, S. 217. (Weblink)

  • NOHA, S.M.; WOLBER, G.; STUPPNER, H.; JAHRSDÖRFER, B.; SIMMET, T.; SCHUSTER, D. (2011): Discovery of a noval Granzyme B inhibitor by pharmacophore-based and docking-based virtual screening.
    In: Stuppner, H; Schubert-Zsilavecz, M.: Shaping the future - Trends and perspectives in pharmaceutical sciences. Book of Abstracts - Joint Meeting of the Austrian and German Pharmaceutical Societies, Innsbruck, 20.09.2011 - 23.09.2011. Innsbruck: Eigenverlag - Universität Innsbruck, S. 221. (Weblink)

  • WALTENBERGER, B.; WIECHMANN, K.; BAUER, J.; MARKT, P.; NOHA, S.M.; WOLBER, G.; ROLLINGER, J.M.; WERZ, O.; SCHUSTER, D.; STUPPNER, H. (2011): Microsomal prostaglandin E2 synthase-1 (mPGES-1): Pharmacophore modeling and virtual screening leading novel acidic inhibitors.
    In: Stuppner, H; Schubert-Zsilavecz, M.: Shaping the future - Trends and perspectives in pharmaceutical sciences. Book of Abstracts - Joint Meeting of the Austrian and German Pharmaceutical Societies, Innsbruck, 20.09.2011 - 23.09.2011. Innsbruck: Eigenverlag - Universität Innsbruck, S. 229. (Weblink)

Medienbeiträge

Beitrag in Zeitung
  • SCHUSTER, D.: Computerunterstütztes Drug Design in der Arzneistoffentwicklung.
    In: Management & Krankenhaus vom 12.12.2011.

Publikationen 2010

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • FAKHRUDIN, N.; LADURNER, A.; ATANASOV, A.G.; HEISS, E.H.; BAUMGARTNER, L.; MARKT, P.; SCHUSTER, D.; ELLMERER, E.P.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H.; DIRSCH, V. (2010): Computer-Aided Discovery, Validation, and Mechanistic Characterization of Novel Neolignan Activators of PPARγ.
    In: MOLECULAR PHARMACOLOGY 77/4, S. 559 - 566. (DOI) (Weblink)

  • NASHEV, L. G.; Schuster, D.; Laggner, C.; Sodha, S.; Langer, T.; Wolber, G.; Odermatt, A. (2010): The UV-filter benzophenone-1 inhibits 17beta-hydroxysteroid dehydrogenase type 3: virtual screening as a strategy to identify potential endocrine disrupting chemicals.
    In: Biochemical Pharmacology 79/8, S. 1189 - 1199. (Weblink)

  • ROLLINGER, J.M.; KRATSCHMAR, D.V.; SCHUSTER, D.; PFISTERER, P.; GUMY, C.; AUBRY, E.M.; BRANDSTÖTTER, S.; ELLMERER, E.P.; STUPPNER, H.; WOLBER, G.; ODERMATT, A. (2010): 11ß-hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational approaches.
    In: Bioorganic & Medicinal Chemistry 18/4, S. 1507 - 1515. (DOI) (Weblink)

  • SCHUSTER, D.; Kern, L.; Hristozov, D. P.; Terfloth, L.; Bienfait, B.; Laggner, C.; Kirchmair, J.; Grienke, U.; Wolber, G.; Langer, T.; Stuppner, H.; Gasteiger, J.; Rollinger, J. M. (2010): Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors.
    In: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING 13/1, S. 54 - 66. (DOI)

  • SCHUSTER, D.; SPETEA, M.; MUSIC, M.; RIEF, S.; FINK, M.; KIRCHMAIR, J.; SCHÜTZ, J.; WOLBER, G.; LANGER, T.; STUPPNER, H.; SCHMIDHAMMER, H.; ROLLINGER, J.M. (2010): Morphinans and isoquinolines: Acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors.
    In: Bioorganic & Medicinal Chemistry 18/14, S. 5071 - 5080. (DOI) (Weblink)

  • SCHUSTER, D.; WALTENBERGER, B.; KIRCHMAIR, J.; DISTINTO, S.; MARKT, P.; STUPPNER, H.; ROLLINGER, J.M.; WOLBER, G. (2010): Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part I: Model generation, validation and applicability in ethnopharmacology.
    In: Molecular Informatics 29/1 - 2, S. 75 - 86. (DOI)

  • SCHUSTER, D.; Wolber, G. (2010): Identification of bioactive natural products by pharmacophore-based virtual screening.
    In: Current Pharmaceutical Design 16/15, S. 1666 - 1681.

Zeitschriftenaufsatz (Review)
  • SCHUSTER, D. (2010): 3D Pharmacophores as tools for activity profiling.
    In: Drug Discovery Today: Technologies 7/4, S. 205 - 211. (DOI)

Zeitschriftenbeitrag (Meeting-Abstract)
  • FAKHRUDIN, N.; Ladurner, A.; Atanasov, A.G.; Heiss, E.H.; Baumgartner, L.; Markt, P.; Schuster, D.; Ellmerer, E.; Wolber, G.; Rollinger, J. M.; Dirsch, V. M. (2010): Discovery and mechanistic characterization of neolignans as PPAR-gamma agonists.
    In: FEBS Journal 277/Suppl. 1, S. 68 - 69. (DOI)

  • KAINZ, K.; Schuster, D.; Krenn, L. (2010): In silico guided search for anti-viral properties of a natural methylenecyclopropane glucoside.
    In: Planta Medica 76, S. 1282.

  • PFISTERER, P.; NIKOLOVSKA-COLESKA, Z.; SCHYCHKA, L.; SCHUSTER, D.; RUDY, A.; WOLBER, G.; VOLLMAR, A.; ROLLINGER, J.M.; STUPPNER, H. (2010): Acylated flavonol monorhamnosides from Eriobotrya japonica as XIAP BIR3 inhibitors revealed by in silico and HPLC-SPE-NMR techniques.
    In: Planta Medica 76/12, S. 1344.

  • ROLLINGER, J.M.; KRATSCHMAR, D.V.; SCHUSTER, D.; PFISTERER, P.H.; BRANDSTÖTTER, S.; STUPPNER, H.; WOLBER, G.; ODERMATT, A. (2010): In silico access for the discovery of 11b-hydroxysteroid dehydrogenase 1 inhibiting triterpenes from Eriobotrya japonica.
    In: Planta Medica 76/12, S. 1181. (DOI)

  • ROZEMA, E.; Fakhrudin, N.; Atanasov, A.; Schuster, D.; Heiss, E.; Sonderegger, H.; Krieg, C.; Gruber, C.; Huck, C.; Dirsch, V.; Bonn, G.; Kopp, B. (2010): Bioactive fatty acids and cerebrosided from the TCM drug Arisaema sp.
    In: Planta Medica 76/12, S. 1170.

  • SCHUSTER, D.; Wolber, G. (2010): Pharmacophore-guided elucidation of the active principle from natural compounds.
    In: Planta Medica 76/12, S. 1179.

  • WALTENBERGER, B.; SCHUSTER, D.; PARAMAPOJN, S.; GRITSANAPAN, W.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H. (2010): In silico strategy for the identification of COX inhibitors from the Thai medicinal mixture Prasaplai.
    In: Planta Medica 76/12, S. 1173. (DOI)

Beitrag in Proceedingsband (Abstract)
  • BAUMGARTNER, L.; SOSA, S.; FAKHRUDIN, N.; ATANASOV, A.G.; HEISS, E.H.; WIDOWITZ, U.; SCHUSTER, D.; ROLLINGER, J.M.; WOLBER, G.; BAUER, R.; DIRSCH, V.M.; TUBARO, A.; STUPPNER, H. (2010): Evaluation of the anti-inflammatory properties of secondary metabolites from Ratanhiae radix.
    In: International Symposium "Drugs from Nature Targeting Inflammation", Book of Abstracts. Innsbruck, 08.04.2010 - 10.04.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck.

  • FAKHRUDIN, N.; LADURNER, A.; ATANASOV, A.G.; HEISS, E.H.; BAUMGARTNER, L.; MARKT, P.; SCHUSTER, D.; ELLMERER, E.P.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H.; DIRSCH, V. (2010): Neolignans as novel ppar-gamma agonists: A computational guided discovery.
    In: International Symposium "Drugs from Nature Targeting Inflammation", Book of Abstracts. Innsbruck, 08.04.2010 - 10.04.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck.

  • GRIENKE, U.; MIHALY-BISON, J.; SCHUSTER, D.; GUO, D.-A.; BINDER, B.R.; WOLBER, G.; STUPPNER, H.; ROLLINGER, J.M (2010): In silico strategies in natural product research to combat inflammation and lifestyle diseases: Identification of FXR-inducing triterpenes from Ganoderma lucidum.
    In: 6th Meeting of PhD Students from Innsbruck´s Medical University and of the Life Science Disciplines of the Leopold-Franzens-University Innsbruck. Book of Abstracts, Innsbruck, Austria, 24.11.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 101.

  • NOHA, S.; JAZZAR, B.; SEITZ, T.; SCHUSTER, D.; ROLLINGER, J.M.; STUPPNER, H.; WERZ, O.; WOLBER, G. (2010): Discovery of novel CPLA2-A Inhibitors using pharmacophore-based virtual screening.
    In: International Symposium "Drugs from Nature Targeting Inflammation", Book of Abstracts. Innsbruck, 08.04.2010 - 10.04.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck.

  • WALTENBERGER, B.; SCHUSTER, D.; PARAMAPOJN, S.; GRITSANAPAN, W.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H. (2010): Identification of cyclooxygenase inhibitors from Prasaplai, a thai traditional medicine, via virtual parallel screening.
    In: International Symposium "Drugs from Nature Targeting Inflammation", Book of Abstracts. Innsbruck, 08.04.2010 - 10.04.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck.

  • WALTENBERGER, B.; WIECHMANN, K.; SCHUSTER, D.; WOLBER, G.; ROLLINGER, J.M.; WERZ, O.; STUPPNER, H. (2010): In silico discovery of novel acidic microsomal prostaglandin E2 synthase 1 inhibitors.
    In: 6th Meeting of PhD Students from Innsbruck´s Medical University and of the Life Science Disciplines of the Leopold-Franzens-University Innsbruck. Book of Abstracts, Innsbruck, Austria, 24.11.2010. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 110.

Patente

Patent
  • ROLLINGER, J.M.; PRAST, H.; SCHUSTER, D.; LANGER, T.; HORNICK, A.; STUPPNER, H.: Morphinan-6-one compounds for the treatment or prevention of neurodegenerative diseases. European Patent Office, EP2010/007697 (2010).

Publikationen 2009

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • CLASSEN-HOUBEN, D.; Schuster, D.; Da Cunha, T.; Odermatt, A.; Wolber, G.; Jordis, U.; Kueenburg, B. (2009): Selective inhibition of 11b-hydroxysteroid dehydrogenase 1 by 18a-glycyrrhetinic acid but not 18b-glycyrrhetinic acid.
    In: JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY 113/3-5, S. 248 - 252.

  • Kirchmair, Johannes; Distinto, Simona; Markt, Patrick; Schuster, Daniela; Spitzer, Gudrun M.; Liedl, Klaus R.; Wolber, Gerhard (2009): How to Optimize Shape-based Virtual Screening: Choosing the Right Query and Including Chemical Information.
    In: Journal of Chemical Information and Modeling 49/3, S. 678 - 692. (DOI)

  • Markt, Patrick; Feldmann, Clemens; Rollinger, Judith M.; Raduner, Stefan; Schuster, Daniela; Kirchmair, Johannes; Distinto, Simona; Spitzer, Gudrun M.; Wolber, Gerhard; Laggner, Christian; Altmann, Karl-Heinz; Langer, Thierry; Gertsch, Jürg (2009): Discovery of Novel CB2 Receptor Ligands by a Pharmacophore-based Virtual Screening Workflow.
    In: JOURNAL OF MEDICINAL CHEMISTRY 52/2, S. 369 - 378. (DOI)

  • Rollinger, J. M.; Schuster, D.; Danzl, B.; Schwaiger, S.; Markt, P.; Schmidtke, M.; Gertsch, J.; Raduner, S.; Wolber, G.; Langer, T.; Stuppner, H. (2009): In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens.
    In: Planta Medica 75/3, S. 195 - 204. (DOI)

Zeitschriftenbeitrag (Correction: Selbstkorrektur)
  • ROLLINGER, J. M.; Schuster, D.; Danzl, B.; Schwaiger, S.; Markt, P.; Schmidtke, M.; Gertsch, J.; Raduner, S.; Wolber, G.; Langer, T.; Stuppner, H. (2009): Erratum: In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens.
    In: Planta Medica 75/3, S. 293.

Beitrag in Proceedingsband (Abstract)
  • WALTENBERGER, B.; SCHUSTER, D.; PARAMAPOJN, S.; GRITSANAPAN, W.; WOLBER, G.; ROLLINGER, J.M.; STUPPNER, H. (2009): Identification of cyclooxygenase inhibitors from Prasaplai, a Thai traditional medicine, via virtual parallel screening.
    In: LIFE SCIENCE Meeting. Innsbruck Universities. Igls, Tyrol. September 18 - 19, 2009. Innsbruck: Leopold-Franzens-Universität Innsbruck, S. 64. (Weblink)

Publikationen 2008

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Kirchmair, Johannes; Distinto, Simona; Schuster, Daniela; Spitzer, Gudrun; Langer, Thierry; Wolber, Gerhard (2008): Enhancing Drug Discovery Through in Silico Screening: Strategies to Increase True Positives Retrieval Rates.
    In: Current Medicinal Chemistry 15/20, S. 2040 - 2053.

  • Kirchmair, Johannes; Markt, Patrick; Distinto, Simona; Schuster, Daniela.; Spitzer, Gudrun M.; Liedl, Klaus R.; Langer, Thierry; Wolber, Gerhard (2008): The Protein Data Bank (PDB), Its Related Services and Software Tools as Key Components for in Silico Drug Discovery.
    In: JOURNAL OF MEDICINAL CHEMISTRY 51/22, S. 7021 - 7040. (DOI)

  • Markt, Patrick; Mc Goohan, Caroline; Walker, Brian; Kirchmair, Johannes; Feldmann, Clemens; De Martino, Gabriella; Spitzer, Gudrun; Distinto, Simona; Schuster, Daniela; Wolber, Gerhard; Laggner, Christian; Langer, Thierry (2008): Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening.
    In: Journal of Chemical Information and Modeling 48/8, S. 1693 - 1705. (DOI)

  • Markt, Patrick; Petersen, Rasmus K.; Flindt, Esben N.; Kristiansen, Karsten; Kirchmair, Johannes; Spitzer, Gudrun; Distinto, Simona; Schuster, Daniela; Wolber, Gerhard; Laggner, Christian; Langer, Thierry (2008): Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electronic Similarity Screening.
    In: JOURNAL OF MEDICINAL CHEMISTRY 51/20, S. 6303 - 6317. (DOI)

  • ROLLINGER, J. M.; STEINDL, T. M.; SCHUSTER, D.; KIRCHMAIR, J.; ANRAIN, K.; ELLMERER, E. P.; LANGER, T.; STUPPNER, H.; WUTZLER, P.; SCHMIDTKE, M. (2008): Structure-based virtual screening for the discovery of natural inhibitors for human rhinovirus coat protein.
    In: JOURNAL OF MEDICINAL CHEMISTRY 51/4, S. 842 - 851. (DOI)

  • SCHUSTER, D.; Nashev, L. G.; Kirchmair, J.; Laggner, C.; Wolber, G.; Langer, T.; Odermatt, A. (2008): Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase type 1 inhibitors by pharmacophore-based screening of virtual compound libraries.
    In: JOURNAL OF MEDICINAL CHEMISTRY 51/14, S. 4188 - 4199.

Sammelbandaufsatz (Originalarbeit)
  • LAGGNER, C.; Wolber, G.; Kirchmair, J.; Schuster, D.; Langer, T. (2008): Pharmacophore-based Virtual Screening in Drug Discovery.
    In: Varnek, A.; Tropsha, A.: Chemoinformatics approaches to virtual screening. Cambridge: Royal Society of Chemistry, ISBN 978-0-85404-144-2, S. 76 - 119.

  • SCHUSTER, D.; Laggner, C.; Langer, T. (2008): Why drugs fail-a study on side effects in new chemical entities.
    In: Vaz, R. J.; Klabunde, T. (Hrsg.): Methods and Principles in Medicinal Chemistry (Antitargets: Prediction and Prevention of Drug Side Effects). Weinheim: Wiley-VCH (= Methods and Principles in Medicinal Chemistry, 38), ISBN 978-3527318216, Bd. 38, S. 3 - 22.

  • SCHUSTER, D.; Steindl, T. M.; Langer, T. (2008): Ligand features essential for cytochrome P450 induction.
    In: Vaz, R. J.; Klabunde, T. (Hrsg.): Methods and Principles in Medicinal Chemistry (Antitargets: Prediction and Prevention of Drug Side Effects). Weinheim: Wiley-VCH (= Methods and Principles in Medicinal Chemistry, 38), ISBN 978-3527318216, Bd. 38, S. 317 - 339.

Publikationen 2007

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • MARKT, P.; Schuster, D.; Kirchmair, J.; Laggner, C.; Langer, T. (2007): Pharmacophore Modeling and Parallel Screening for PPAR Ligands.
    In: Journal of Computer-Aided Molecular Design 21/10-11, S. 575 - 590. (DOI)

  • STEINDL, T. M.; Schuster, D.; Laggner, C.; Chuang, K.; Hoffmann, R.; Langer, T. (2007): Parallel Screening and Activity Profiling with HIV Protease Inhibitor Pharmacophore Models.
    In: Journal of Chemical Information and Modeling 47/2, S. 563 - 571. (DOI)

Zeitschriftenbeitrag (Meeting-Abstract)
  • PFISTERER, P.; SCHUSTER, D.; ROLLINGER, J.M.; LANGER, T.; STUPPNER, H. (2007): Computer-aided discovery of Smac-mimetics within the plant kingdom.
    In: Planta Medica 73/9, S. 898 - 899.

  • ROLLINGER, J. M.; Schuster, D.; Langer, T.; Stuppner, H. (2007): Merits and limits of computational methods for the discovery of natural acetylcholinesterase inhibitors.
    In: Planta Medica 72, S. 962.

Publikationen 2006

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • ROLLINGER, J. M.; SCHUSTER, D.; BAIER, E.; ELLMERER, E. P.; LANGER, T.; STUPPNER, H. (2006): Taspine: Bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangiana.
    In: Journal of Natural Products 69/9, S. 1341 - 1346. (DOI)

  • Schuster, D.; Laggner, C.; Steindl, T. (2006): Development and validation of an in silico P450 profiler based on pharmacophore models.
    In: Current Drug Discovery Technologies 3/1, S. 1 - 48.

  • Schuster, D.; Laggner, C.; Steindl, Th. M.; Palusczak, A.; Hartmann, R. W.; Langer, Th. (2006): Pharmacophore Modeling and in Silico Screening for New P450 19 (Aromatase) Inhibitors.
    In: Journal of Chemical Information and Modeling 46/3, S. 1301 - 1311. (Weblink)

  • Schuster, D.; Maurer, E.; Laggner, C.; Nashev, L.; Wilckens, T.; Langer, T.; Odermatt, A. (2006): The discovery of new 11b-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening.
    In: JOURNAL OF MEDICINAL CHEMISTRY 49/12, S. 3454 - 3466. (Weblink)

  • STEINDL, T. M.; Schuster, D.; Laggner, C.; Langer, T. (2006): Parallel Screening: A Novel Concept in Pharmacophore Modelling and Virtual Screening.
    In: Journal of Chemical Information and Modeling 46/5, S. 2146 - 2157. (DOI) (Weblink)

  • STEINDL, T. M.; Schuster, D.; Wolber, G.; Laggner, C.; Langer, T. (2006): High Throughput Structure-based Pharmacophore Modeling as A Basis for Successful Parallel Virtual Screening.
    In: Journal of Computer-Aided Molecular Design 20/12, S. 703 - 715. (Weblink)

Zeitschriftenbeitrag (Meeting-Abstract)
  • ROLLINGER, J. M.; BAIER, E.; SCHUSTER, D.; LAGGNER, C.; ELLMERER, E. P.; LANGER, T.; STUPPNER, H. (2006): Taspine - A Potent Acetylcholinesterase Inhibiting Alkaloid from Magnolia soulangiana.
    In: Scientia Pharmaceutica 74, S. 99.

Publikationen 2005

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • SCHUSTER, D.; LAGGNER, C.; LANGER, T. (2005): Why Drugs Fail – A Study on Side Effects in New Chemical Entities.
    In: Current Pharmaceutical Design 11, S. 3545 - 3559.




Institut für Pharmazie, Abteilung Pharmazeutische Technologie

Publikationen 2017

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Beck, K.R.; Bächler, M.; Vuorinen, A.; Wagner, S.; Akram, M.; Griesser, U.; Temml, V.; Klusonova, P.; Yamaguchi, H.; Schuster, D.; Odermatt, A. (2017): Inhibition of 11β-hydoxysteroid dehydrogenase 2 by the fungicides itraconazole and posaconazole.
    In: Biochemical Pharmacology 130, S. 93 - 103. (DOI)

Publikationen 2014

Beiträge in Büchern / Zeitschriften

Zeitschriftenaufsatz (Originalarbeit)
  • Vuorinen, Anna; Engeli, Roger; Meyer, Arne; Bachmann, Fabio; Griesser, Ulrich J.; Schuster, Daniela; Odermatt, Alex (2014): Ligand-Based Pharmacophore Modeling and Virtual Screening for the Discovery of Novel 17β-Hydroxysteroid Dehydrogenase 2 Inhibitors.
    In: JOURNAL OF MEDICINAL CHEMISTRY 57/14, S. 5995 - 6007. (DOI) (Weblink)