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Molecular docking and ligand specificity in fragment-based inhibitor discovery

Fragment screens have successfully identified new scaffolds in drug discovery, often with relatively high hit rates (5%) using small screening libraries (1,000–10,000 compounds). This raises two questions: would other noteworthy chemotypes be found were one to screen all commercially available fragm...

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Autors principals: Chen, Yu, Shoichet, Brian K
Format: Artigo
Idioma:Inglês
Publicat: 2009
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4006998/
https://ncbi.nlm.nih.gov/pubmed/19305397
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nchembio.155
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