In silico design and synthesis of piperazine-1-pyrrolidine-2,5-dione scaffold-based novel malic enzyme inhibitors

被引：35

作者：

Zhang, YJ ^{[1
]}

Wang, ZL ^{[1
]}

Sprous, D ^{[1
]}

Nabioullin, R ^{[1
]}

机构：

[1] Cytrx Labs, Worcester, MA 01605 USA

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2006年 / 16卷 / 03期

关键词：

enzyme inhibitor design; virtual screening;

D O I：

10.1016/j.bmcl.2005.10.065

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Fragment-based virtual library design and virtual screening have been conducted against malic enzyme (ME) homology model. Several scaffolds have been identified as promising motifs to target ME's NADP binding site. One small focused library has been synthesized and tested against ME. Several compounds from this library have shown sub-micromolar inhibitory activity against malic enzyme. (c) 2005 Elsevier Ltd. All rights reserved.

引用

页码：525 / 528

页数：4

共 17 条

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