THEORETICAL AND CONFORMATIONAL STUDIES OF A SERIES OF CANNABINOIDS

Authors
DASILVA ABF TRSIC M
Citation
Abf. Dasilva et M. Trsic, THEORETICAL AND CONFORMATIONAL STUDIES OF A SERIES OF CANNABINOIDS, Journal of molecular structure, 356(3), 1995, pp. 247-256
Citations number
26
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure → ACNP
ISSN journal
00222860
Volume
356
Issue
3
Year of publication
1995
Pages
247 - 256
Database
ISI
SICI code
0022-2860(1995)356:3<247:TACSOA>2.0.ZU;2-M
Abstract
The MNDO semi-empirical method is applied to the study of a series of cannabinoids with the aim of providing an improved understanding of th e structure-activity relationship (SAR). The conformation of some grou ps 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.