In the three years of this multidisciplinary research project, the 10-member, SME-led consortium would like to develop and refine methods for the enrichment of molecular libraries to facilitate discovery of potential anti-cancer agents. Using grid-aided computer technology, the likelihood of finding anti-cancer novel leads will substantially increase translating basic knowledge to application stage. In particular, through the interaction with novel technologies and biology, the R&D consortium aims at (i) developing focused libraries with a high content of anti-cancer leads; (ii) building models for prediction of disease-related cytotoxicity and of kinase/ HDAC/MMP and other enzyme inhibition or receptor antagonism using HTS results; (iii) developing a computer system based on grid technology, which helps to accelerate and automate the in silico design of libraries for drug discovery processes, and which is also suitable for future design of libraries for drug-discovery processes that have different biological targets (the result is a new marketable technology).
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