基于硫杂环丙烷的明胶酶抑制剂的构象分析。
Conformational analyses of thiirane-based gelatinase inhibitors.
作者信息
Lee Mijoon, Hesek Dusan, Shi Qicun, Noll Bruce C, Fisher Jed F, Chang Mayland, Mobashery Shahriar
机构信息
Department of Chemistry and Biochemistry, Walther Cancer Research Center, University of Notre Dame, Notre Dame, IN 46556, USA.
出版信息
Bioorg Med Chem Lett. 2008 May 15;18(10):3064-7. doi: 10.1016/j.bmcl.2007.11.131. Epub 2007 Dec 5.
Abstract
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.
摘要
SB - 3CT是一种含硫杂环丙烷的基质金属蛋白酶明胶酶类抑制剂。为支持这种抑制作用的机制研究，采用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。
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