THEORETICAL DETERMINATION OF THE PUTATIVE RECEPTOR-BOUND CONFORMATIONS OF 5-HT2 RECEPTOR AGONISTS

被引：7

作者：

HOLTJE, HD

BRIEM, H

机构：

[1] Institute of Pharmacy, Free University of Berlin, Berlin, D-1000 33

来源：

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS | 1991年 / 10卷 / 03期

关键词：

5-HT2 RECEPTOR AGONISTS; PHENYLETHLAMINE; INDOLYLETHYLAMINES; CONFORMATIONAL ANALYSIS; STEREOSPECIFIC PHARMACOPHORE; MOLECULAR ELECTROSTATIC POTENTIAL;

D O I：

10.1002/qsar.19910100303

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

For a series of compounds with agonistic activity at the 5-HT2 receptor a pharmacophoric model was established. It has been shown by means of conformational analyses and molecular electrostatic potential calculations that the pharmacophores of all active compounds can adopt common positions at the receptorsite. Besides our model offers an explanation for the stereoselectivity of the chiral compounds as well as for the complete loss of activity of a phenylethylamine compound containing an alpha,alpha-dimethyl sidechain.

引用

页码：193 / 197

页数：5

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