Lead discovery library screening

Keywords BACE Chymase Fragment-Based lead discovery Library Design Screening Surface Plasmon Resonance X-ray Crystallography... 

One of the driving forces to apply combinatorial chemistry in drug discovery is to accelerate lead discovery and preclinical research in order to find the next drug. It is important that these combinatorial library compounds are as pure as possible when performing lead discovery screening. At this stage,... 

Key words Fragment-based lead discovery, screening collection, library design, computational filtering, NMR screening... 

Fragments should be composed of drug-like chemical matter because substantial parts of a fragment hit will end up in the final lead candidate for in vivo assays. Therefore, we selected our NMR screening library from commercially available compound repositories that have a proven track record in lead discovery (e.g. by many years of use in HTS) and also as they include structures and substructures that occur in known marketed drugs, as well as in clinical and preclinical candidates. This ensures that the fragment library is built on several decades of experience in drug discovery. 

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