Anthrax lethal factor protease inhibitors: Synthesis, SAR, and structure-based 3D QSAR studies

被引：47

作者：

Johnson, SL

Jung, D

Forino, M

Chen, Y

Satterthwait, A

Rozanov, DV

Strongin, AY

Pellecchia, M

机构：

[1] Burnham Inst Med Res, Canc Res Ctr, La Jolla, CA 92037 USA

[2] Burnham Inst Med Res, Infect & Inflammatory Dis Ctr, La Jolla, CA 92037 USA

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 2006年 / 49卷 / 01期

关键词：

D O I：

10.1021/jm050892j

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

We have recently identified a series of compounds that efficiently inhibit anthrax lethal factor (LF) metallo-protease. Here we present further structure-activity relationship and CoMFA (comparative molecular field analysis) studies on newly derived inhibitors. The obtained 3D QSAR model was subsequently compared with the X-ray structure of the complex between LF and a representative compound. Our studies form the basis for the rational design of additional compounds with improved activity and selectivity.

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页码：27 / 30

页数：4

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