Structure-Based Virtual Screening and Biological Evaluation of Mycobacterium tuberculosis Adenosine 5′-Phosphosulfate Reductase Inhibitors

被引：34

作者：

Cosconati, Sandro ^{[1
,2
]}

Hong, Jiyoung A. ^{[3
,4
]}

Novellino, Ettore ^{[2
]}

Carroll, Kate S. ^{[3
,4
]}

Goodsell, David S. ^{[1
]}

Olson, Arthur J. ^{[1
]}

机构：

[1] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA

[2] Univ Naples Federico 2, Dipartimcnto Chim Farmaceut & Tossicol, I-4980131 Naples, Italy

[3] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA

[4] Univ Michigan, Inst Life Sci, Ann Arbor, MI 48109 USA

来源：

JOURNAL OF MEDICINAL CHEMISTRY | 2008年 / 51卷 / 21期

基金：

美国国家卫生研究院;

关键词：

D O I：

10.1021/jm800571m

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Tuberculosis is among the world's deadliest infectious diseases. APS reductase catalyzes the first committed step in bacterial Sulfate reduction and is a validated drug target against latent tuberculosis infection. We performed a virtual screening to identify APSR inhibitors. These inhibitors represent the first non-phosphate-based molecules to inhibit APSR. Common chemical features lay the foundation for the development of agents that could shorten the duration of chemotherapy by targeting the latent stage of TB infection.

引用

页码：6627 / 6630

页数：4

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