Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification

…, LM Fisher, G Francis, R Howes, P Kierstan…

文献索引：Foloppe, Nicolas; Fisher, Lisa M.; Francis, Geraint; Howes, Rob; Kierstan, Peter; Potter, Andrew Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 6 p. 1792 - 1804

全文：HTML全文

被引用次数: 47

摘要

Inhibition of the Chk1 kinase by small molecules binding to its active site is a strategy of great therapeutic interest for oncology. We report how computational modelling predicted the binding mode of ligands of special interest to the Chk1 ATP site, for representatives of an indazole series and debromohymenialdisine. These binding modes were subsequently confirmed by X-ray crystallography. The binding mode of a potent indazole derivative ...