☆ 4.7 Article

Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors

JOURNAL OF MEDICINAL CHEMISTRY (2014)

期刊

JOURNAL OF MEDICINAL CHEMISTRY

卷 57, 期 3, 页码 1033-1045

出版社

AMER CHEMICAL SOC

DOI: 10.1021/jm401768t

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Chemistry, Medicinal

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Genentech internship program

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Structure-based methods were used to design a potent and highly selective group II p21-activated kinase (PAK) inhibitor with a novel binding mode, compound 17. Hydrophobic interactions within a lipophilic pocket past the methionine gatekeeper of group II PAKs approached by these type I 1/2 binders were found to be important for improving potency. A structure-based hypothesis and strategy for achieving selectivity over group I PAKs, and the broad kinome, based on unique flexibility of this lipophilic pocket, is presented. A concentration-dependent decrease in tumor cell migration and invasion in two triple-negative breast cancer cell lines was observed with compound 17.

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