Screening structural-functional relationships of neuropharmacologically active organic compounds at the nicotonic acetylcholine receptor

被引：7

作者：

Barrantes, GE ^{[1
]}

Ortells, MO ^{[1
]}

Barrantes, FJ ^{[1
]}

机构：

[1] INST INVEST BIOQUIM,RA-8000 BAHIA BLANCA,ARGENTINA

来源：

NEUROPHARMACOLOGY | 1997年 / 36卷 / 03期

关键词：

molecular modelling; drug screening; nicotinic acetylcholine receptor;

D O I：

10.1016/S0028-3908(97)00004-X

中图分类号：

Q189 [神经科学];

学科分类号：

071006 ;

摘要：

The mechanisms of action and pharmacological effects on the nicotinic cholinoceptor of a large database of organic compounds were analyzed using a new computational procedure. This procedure is a screening method based on comparison of the molecular structures (shape and charge) of the putative active organic compounds. The resulting predictions can be used as an exploratory tool in the design of experiments aimed at testing the effects of several compounds on a target macromolecule. Unlike a conventional database search for structural similarities, the present method is able to circumscribe objectively the results to the most statistically significant molecules. (C) 1997 Elsevier Science Ltd.

引用

页码：269 / 279

页数：11

共 48 条

[1] DECAMETHONIUM BOTH OPENS AND BLOCKS ENDPLATE CHANNELS [J].