Modelling studies of the active site of human sorbitol dehydrogenase: An approach to structure-based inhibitor design of the enzyme

被引：26

作者：

Darmanin, C ^{[1
]}

El-Kabbani, O ^{[1
]}

机构：

[1] Monash Univ, Dept Med Chem, Victorian Coll Pharm, Parkville, Vic 3052, Australia

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2001年 / 11卷 / 24期

基金：

英国医学研究理事会; 澳大利亚研究理事会;

关键词：

D O I：

10.1016/S0960-894X(01)00637-0

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The program GRID was used to design novel potential inhibitors of human sorbitol dehydrogenase based on a model of the holoenzyme in complex with the inhibitor WAY135 706. Replacement of the methyl hydroxyl group of the inhibitor with methyl phosphate and methyl carboxylate functional groups increased the net binding energy of the complex by 2.0- and 1.7-fold, respectively. This study may be useful in the development of potent and more specific inhibitors of the enzyme. (C) 2001 Elsevier Science Ltd. All rights reserved.

引用

页码：3133 / 3136

页数：4

共 12 条

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