MODELING OF THE CCK ANTAGONIST ACTIVITY OF BENZODIAZEPINES ON CEREBRAL RECEPTORS

Authors
HUCHE M CENSE JM LEGENDRE JJ
Citation
M. Huche et al., MODELING OF THE CCK ANTAGONIST ACTIVITY OF BENZODIAZEPINES ON CEREBRAL RECEPTORS, Journal of molecular structure. Theochem, 453, 1998, pp. 97-105
Citations number
38
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
453
Year of publication
1998
Pages
97 - 105
Database
ISI
SICI code
0166-1280(1998)453:<97:MOTCAA>2.0.ZU;2-J
Abstract
The brain CCK antagonist activity of 23 benzodiazepines was studied by molecular modelling. Construction and optimisation by GenMol and MOPA C led to molecular geometries with absolute minimum energy. Three geom etrical parameters describing the shape of the molecule were selected for processing both by linear correlation and by neural system. They a llow a good prediction of activity for a compound belonging to this se ries (C) 1998 Elsevier Science B.V. All rights reserved.