RELATIONSHIPS BETWEEN CONFORMATIONAL BEHAVIOR AND BINDING-AFFINITY TOWARDS BETA-1 AND BETA-2 ADRENOCEPTORS OF SOME CHIRAL PHENOXYPROPANOLAMINES WITH BULKY N-SUBSTITUENTS

Authors
VILLA L VILLA AM PALLAVICINI M ROMEO S VALOTI E FERRI V IULIANO E BRUNELLO N
Citation
L. Villa et al., RELATIONSHIPS BETWEEN CONFORMATIONAL BEHAVIOR AND BINDING-AFFINITY TOWARDS BETA-1 AND BETA-2 ADRENOCEPTORS OF SOME CHIRAL PHENOXYPROPANOLAMINES WITH BULKY N-SUBSTITUENTS, Il Farmaco, 50(10), 1995, pp. 643-658
Citations number
45
Categorie Soggetti
Pharmacology & Pharmacy
Journal title
Il Farmaco → ACNP
ISSN journal
0014827X
Volume
50
Issue
10
Year of publication
1995
Pages
643 - 658
Database
ISI
SICI code
0014-827X(1995)50:10<643:RBCBAB>2.0.ZU;2-D
Abstract
The optical isomers of a series of phenoxypropanolamine compounds with N-substituents bulkier than isopropyl have been synthesized, and thei r binding affinity towards beta(1) and beta(2)-adrenoceptors has been determined. A computational study, including a Molecular Dynamics (MD) simulation and quenching in water and a GRID analysis provided some u seful suggestions for possible interpretation patterns for the differe nt affinity exhibited by the compounds studied.