1. Endothelin antagonists: Search for surrogates of methylendioxyphenyl by means of a Kohonen neural network

被引：34

作者：

Anzali, S ^{[1
]}

Mederski, WWKR ^{[1
]}

Osswald, M ^{[1
]}

Dorsch, D ^{[1
]}

机构：

[1] Merck KGaA, Preclin Pharmaceut Res, D-64271 Darmstadt, Germany

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 1998年 / 8卷 / 01期

关键词：

D O I：

10.1016/S0960-894X(97)10150-0

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The methylendioxyphenyl group, present in a number of potent endothelin receptor antagonists, could have undesirable metabolic interactions with cytochrome P450 in vivo. Using a self-organizing neural network we analysed the features of molecular electrostatic potentials of several endothelin receptor ligands. A library of small "fragments and functional groups" together with their corresponding Kohonen maps was generated. By means of this Kohonen map library we discovered the benzothiadiazole group as a surrogate for methylendioxyphenyl. (C) 1997 Elsevier Science Ltd. All rights reserved.

引用

页码：11 / 16

页数：6

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