Current projects

Projects funded by the European Union

eTox: The eTOX project aims at the in silico prediction of in vivo toxicities associated with drugs and drug candidates. The eTOX project is part of the first call of the Innovative Medicines Initiative (IMI) and it will be undertaken by a consortium composed of 11 big European pharmaceutical companies (EFPIA) and 12 academic institutions and small and medium enterprises. The project is officially starting on January 2010 and will be carried out until 2015.
CancerGRID (Grid aided computer system for rapid anti-cancer drug design): This project aims at building models for prediction of disease-related cytotoxicity and of kinase/ HDAC/MMP and other enzyme (i.e. HSP90) inhibition or receptor antagonism using HTS results by means of developing a computer system based on grid technology, which helps to accelerate and automate the in silico design of libraries for drug discovery processes.

DNTI - Drugs from nature targeting inflammation (PP02): In a national network of pharmacognosy groups, molecular modeling is applied to accelerate the isolation of bio-active compounds from plant extracts. A natural product database with more than 140.000 virtual compounds is used for virtual screening to predict, which plants are most likely to show antiinflammatory activity.
Oncotyrol: Oncotyrol is a K1 center for personalized cancer medicine. We participate in project area 1, which addresses control mechanisms of tumor growth and anti-tumor immunity. Specifically, we perform the computer-aided molecular design for project 1.4 ("Natural products as XIAP inhibitos" and project 1.5 ("Inhibiting the BAG-1/RAF interaction to fight tumor growth")