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discovery chemistry

Target-focused chemical library design and synthesis


Target-focused compound libraries are the collections of compounds with high affinity to the target protein. The design of focused libraries is one of the key steps in modern hit-to-lead drug discovery.

Primary compounds are chosen through our in-house library screen, as well as through a virtual screens. Based on these we identify hits, which are developed further. Promising compounds are synthesized in short series and instantly optimized further. We optimize our compounds also with regard to the synthesis route and synthetic availability: preferred are compounds that are easy to synthesize with the highest possible yield.

Chosen hit compounds undergo physicochemical and ADME/Tox properties analysis. All tests are done internally in the Selvita Biology Department, which allows us not only to speed up the process but also ensures IP protection in the process.

Once the ADME/Tox tests are completed, results are analysed and used to asses which hits are promising and what direction should be taken in their further optimization. The process of the optimization goes on further until desired properties of the molecule are achieved.

Depending on the preference, we deliver to the customer a library of compounds or a single lead compound.