Conformational analyses of thiirane-based gelatinase inhibitors

详细信息	查看全文 | 推荐本文 |

• 作者：Mijoon Lee ; Dusan Hesek ; Qicun Shi ; Bruce C. Noll ; Jed F. Fisher ; Mayl ; Chang ; Shahriar Mobashery
• 关键词：Gelatinase inhibitors ; Matrix metalloproteases ; X-ray crystallography ; Molecular dynamics ; Aryl sulfone conformation
• 刊名：Bioorganic and Medicinal Chemistry Letters
• 出版年：2008
• 期刊代码：10_0960894x
• 类别：ch
• 出版时间：15 May 2008
• 卷：18
• 期：10
• 页码：3064-3067
• 文件大小：473 K

摘要

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.