THEORETICAL AND CONFORMATIONAL STUDIES OF A SERIES OF CANNABINOIDS

被引：9

作者：

DASILVA, ABF

TRSIC, M

机构：

[1] Departamento de Química e Física Molecular, Instituto de Química de São Carlos, Universidade de São Paulo, 13560-970 São Carlos, SP

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1995年 / 356卷 / 03期

关键词：

D O I：

10.1016/0022-2860(95)08959-Y

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The MNDO semi-empirical method is applied to the study of a series of cannabinoids with the aim of providing an improved understanding of the structure-activity relationship (SAR). The conformation of some groups that seem important in the biological activity (psychoactivity) of these compounds is characterized. Some electronic properties, such as atomic net charges and HOMO and LUMO energies, are correlated with the psychoactive effect.

引用

页码：247 / 256

页数：10

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