期刊
JOURNAL OF CHEMICAL INFORMATION AND MODELING
卷 57, 期 4, 页码 815-825出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jcim.6b00642
关键词
-
类别
资金
- CSIR Network Project GENESIS [BSC0121]
- CSIR Network Project HOPE [BSC0114]
- Indian Council of Medical Research
- Council for Scientific and Industrial Research (CSIR)
Trypansomatids maintain their redox balance by the trypanothione-based redox system, enzymes of which exhibit differences from mammalian homologues. gamma-Gluta-mylcysteine synthetase (Gcs) is an essential enzyme in this pathway that performs the first and rate-limiting step. L-Buthionine-(S,R)-sulfoximine (BSO), a specific inhibitor of Gcs, induces toxicity in hosts infected with Trypanosoma brucei, underlining the steed for novel Gcs inhibitors. The present study reports identification of Leishmania donovani Gcs (LdGcs) inhibitors using Computational approaches and their experimental validation. Analysis of inhibitor LdGcs complexes shows modifications that could result in increased efficacy of these compounds.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据