THE USE OF MOLECULAR SIMILARITY INDEXES IN THE DETERMINATION OF A BIOACTIVE CONFORMATION

Authors
CASTRO A RICHARDS WG
Citation
A. Castro et Wg. Richards, THE USE OF MOLECULAR SIMILARITY INDEXES IN THE DETERMINATION OF A BIOACTIVE CONFORMATION, European journal of medicinal chemistry, 33(7-8), 1998, pp. 617-623
Citations number
16
Categorie Soggetti
Chemistry Medicinal
Journal title
European journal of medicinal chemistry → ACNP
ISSN journal
02235234
Volume
33
Issue
7-8
Year of publication
1998
Pages
617 - 623
Database
ISI
SICI code
0223-5234(1998)33:7-8<617:TUOMSI>2.0.ZU;2-X
Abstract
A QSAR study of a series of thiourea inhibitors of acetylcholinesteras e has been carried out with molecular similarity indices used as param eters for correlating the activity and also to suggest the receptor-bo und conformation. The availability of the structure of AChE has provid ed the opportunity to extend the QSAR study to a ligand-receptor docki ng analysis. (C) Elsevier, Paris.