Conformational analyses of thiirane-based gelatinase inhibitors.
Conformational analyses of thiirane-based gelatinase inhibitors.
复制标题
基于硫杂丙环的明胶酶抑制剂的构象分析。
DOI：
10.1016/j.bmcl.2007.11.131
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发表时间：
2008
影响因子：
2.7
通讯作者：
Mobashery,Shahriar
中科院分区：
文献类型：
--
作者：
Lee,Mijoon;Hesek,Dusan;Shi,Qicun;Noll,BruceC;Fisher,JedF;Chang,Mayland;Mobashery,Shahriar
SB-3CT是一种含硫拉烷的基质金属蛋白酶明胶酶类抑制剂。为了支持这种抑制作用的机理研究，利用x射线晶体学和分子动力学模拟对SB-3CT（以及两种甲基取代衍生物）进行了构象分析。
SB-3CT is a thiirane-containing inhibitor of the gelatinase class of matrix metalloprotease enzymes. In support of the mechanistic study of this inhibition, the conformational analyses of SB-3CT (and of two methyl-substituted derivatives) were undertaken using X-ray crystallography and molecular dynamics simulation.