Lead discovery fragment-based screening

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

Keywords VS, Virtual Screening, Lead discovery, lead, HTS, Pharmacophore-Based, Structure-Based, Fragment-based, Ligand-based, Docking, Scoring, hybrid workflows, VS strategy, Benchmarking VS... 

Design of Screening Collections for Successful Fragment-Based Lead Discovery... 

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

Figure 10.5 Fragment-based capture methods permit a combinatorial approach to lead discovery 104 fragments can be combined to create W8 two-fragment molecules. Rather than synthesizing and screening 10s compounds, the 104 fragments can be screened individually and only the fragments that hit will be converted into two-fragment molecules. Compared with FITS, the fragment-based approach can be accomplished with far less synthetic and screening effort.

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