A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1)
A covalent G-site inhibitor for glutathione S-transferase Pi (GSTP1-1)
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DOI：
10.1039/c7cc05829b
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发表时间：
2017-10-18
影响因子：
4.9
通讯作者：
Abe, Hiroshi
中科院分区：
文献类型：
--
作者：
Shishido, Yuko;Tomoike, Fumiaki;Abe, Hiroshi
我们在此报道了GST的第一个共价g位点结合抑制剂GS-ESF(1)，它可以不可逆地抑制GSTP1-1的功能。LC-MS/MS和x射线结构分析表明，1与GSTP1-1的Tyr108发生反应。在MD模拟结果的基础上，讨论了共价键形成机理。
We herein report the first covalent G-site-binding inhibitor for GST, GS-ESF (1), which irreversibly inhibited the GSTP1-1 function. LC-MS/MS and X-ray structure analyses of the covalently linked GST-inhibitor complex suggested that 1 reacted with Tyr108 of GSTP1-1. The mechanism of covalent bond formation was discussed based on MD simulation results.