期刊
BIOORGANIC & MEDICINAL CHEMISTRY
卷 21, 期 6, 页码 1410-1418出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2012.10.048
关键词
Carbonic anhydrase; Sulfamides; Docking; Molecular dynamic simulations; Inhibition pattern
资金
- CONICET
- National Science Foundation [TG-CHE090124]
- Agencia de Promocion Cientifica y Tecnologica [PICT 01774/2010]
- Universidad Nacional de La Plata, Argentina
- Walther Cancer Research Center, University of Notre Dame
- European Union
A set of sulfamides and sulfamates were synthesized and tested against several isoforms of carbonic anhydrase: CA I, CA II, CA VII, CA XII and CA XIV. The biological assays showed a broad range of inhibitory activity, and interesting results were found for several compounds in terms of activity (K-i < 1 mu m) and selectivity: some aromatic sulfamides are active against CA I, CA II and/or CA VII; while they are less active in CA XII and CA XIV. On the other hand, bulky sulfamides are selective to CA VII. To understand the origin of the different inhibitory activity against each isozyme we used molecular modeling techniques such as docking and molecular dynamic simulations. (C) 2012 Elsevier Ltd. All rights reserved.
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