肽基α-酮酸强效钙蛋白酶抑制活性的结构基础。
Structural basis for the potent calpain inhibitory activity of peptidyl alpha-ketoacids.
作者信息
Donkor Isaac O, Assefa Haregewein, Liu Jiuyu
机构信息
Department of Pharmaceutical Sciences, University of Tennessee Health Science Center, Memphis, Tennessee 38163, USA.
出版信息
J Med Chem. 2008 Jul 24;51(14):4346-50. doi: 10.1021/jm800182c.
Abstract
A series of peptidyl alpha-ketoacids and alpha-ketoesters was synthesized and studied as mu-calpain inhibitors. Docking studies revealed that the mu-calpain inhibitory activity of the compounds is influenced by hydrogen bonding interactions and the potential for ionic interaction with active site residues as well as placement of a planar N-terminal capping group into the S 3 pocket of the enzyme.
摘要
合成了一系列肽基α-酮酸和α-酮酯，并将其作为μ-钙蛋白酶抑制剂进行研究。对接研究表明，这些化合物的μ-钙蛋白酶抑制活性受氢键相互作用、与活性位点残基发生离子相互作用的可能性以及平面N端封端基团在酶的S 3口袋中的位置影响。
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