Development of new drug candidates through the integration of computer-aided drug design with cell-based high-throughput assays.

• Research unit: INNOSUISSE
• Project number: 6934.3;4 LSPP-LS

Short description (English)

Development of new drug candidates through the integration of computer-aided drug design with cell-based high-throughput assays.

Abstract (English)

The objectives of this collaboration are a) the development of computational methods for de novo drug design and for target-specific virtual screening of compound libraries, and b) their application for identifying in vivo inhibitors of pharmaceutically relevant targets. In silico-selected molecules will be tested for their effective activity towards pharmaceutically relevant targets in selective cell-based assays. This iterative, cyclic approach will enable the validation and improvement of the computational methods under development and the identification of potential ¿lead compounds¿ (drug precursors) that target disease-relevant proteins inside cells.