Comparative molecular field analysis (CoMFA) models of phenylethanolamine N-methyltransferase (PNMT) and the α2-adrenoceptor:: The development of new highly selective inhibitors of PNMT

被引：14

作者：

Grunewald, GL ^{[1
]}

Caldwell, TM ^{[1
]}

Dahanukar, VH ^{[1
]}

Jalluri, RK ^{[1
]}

Criscione, KR ^{[1
]}

机构：

[1] Univ Kansas, Dept Med Chem, Lawrence, KS 66045 USA

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 1999年 / 9卷 / 03期

关键词：

enzyme inhibitor; antihypertension; molecular modelling/mechanics; receptors;

D O I：

10.1016/S0960-894X(99)00022-0

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

As a guide to the development of new and more selective inhibitors of phenylethanolamine N-methyltransferase (PNMT) vs the alpha(2)-adrenoceptor, we have performed a comparative molecular field analysis (CoMFA) on a series of 80 benzylamine analogues. Using the models obtained, we have proposed a series of 3-trifluoromethyl-1,2,3,4-tetrahydroisoquinolines and predicted the activity of other analogues. (C) 1999 Elsevier Science Ltd. All rights reserved.

引用

页码：481 / 486

页数：6

共 10 条

[1]

AXELROD J, 1962, J BIOL CHEM, V237, P1657

[2] COMPARATIVE MOLECULAR-FIELD ANALYSIS (COMFA) .1. EFFECT OF SHAPE ON BINDING OF STEROIDS TO CARRIER PROTEINS [J].