Research
Research Associations
▪ CMBI - Center for Molecular Biosciences Innsbruck
The CMBI is an integrative and multidisciplinary research and graduate teaching institution, whose
mission it is to advance knowledge on the structure, function, and interaction of biological macro-
molecules, and of simple compounds, relevant for cellular growth, metabolism, and development.
Currently, the CMBI comprises 16 research groups from the Faculties of Biology, of Chemistry and
Pharmacy, and of Mathematics, Informatics and Physics.
Main Research Topics
▪ Pharmacophore-based activity profiling
▪ Database mining for lead structure search
▪ Generation of pharmacophore models for the design of new bio-active compounds
▪ Use of 3D-QSAR for molecular diversity/similarity calculation
▪ Homology modeling and docking
Core Projects
▪ Drugs from Nature Targeting Inflammation (DNTI)
The aim of the project, funded by the Austrian Science Foundation (FWF), is the identification and
characterisation (chemical and biological/pharmacological) of compounds capable to combat or
prevent inflammatory processes specifically in the cardiovascular system.
▪ Application of pharmacophore-based searches for the prediction of environmental chemicals toxicity
Habilitation project
▪ IAP-antagonists from natural resources
The aim of the project in cooperation with Oncotyrol is the identification of natural compounds with
inhibiting activity on the protein XIAP.
▪ Discovery and analysis of new redox-based inhibitors for cyclooxygenase and lipoxygenase
Scientific-technical cooperation project
Video (German)
Equipment
Software Used
▪ i:lib diverse and Ligand Scout (available from Inte:Ligand)
▪ Discovery Studio (available from Accelrys)
▪ MOE (available from the Chemical Computing Group)
▪ OpenEye Software Tools (available from OpenEye Scientific Software)
▪ GOLD (available from the Cambridge Crystallographic Data Centre)
▪ Schrödinger Software package
Hardware Used
▪ Linux PC Cluster (25 Nodes)
▪ Supercomputer infrastructure of the University of Innsbruck (LEO I and LEO II)
Software Development
▪ ilib diverse, a software tool for rapid generation of intelligent virtual combinatorial libraries
▪ LigandScout, a tool for automated interpretation of ligand-protein interaction and pharmacophore generation