Application of the Free-Wilson technique to structurally related series of homologs. Quantitative structure-activity relationship studies of narcotic analgetics
- 1 November 1977
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Medicinal Chemistry
- Vol. 20 (11) , 1413-1419
- https://doi.org/10.1021/jm00221a012
Abstract
A series of benzomorphans [91] with ED50 values determined in vivo by the hot-plate method in mice was analyzed by the modified Free-Wilson method. The QSAR [quantitative structure-activity relationships] yielded 36 substituent constants (ai) with contributions to the overall activity in agreement with experimental data. Substituent constant values obtained for benzomorphans were used in calculating log (1/C) [c = mol/kg of test animal] values for 6 morphinans. An excellent correlation was obtained (r = 0.95) between the 6 calculated and observed activities. The possibility of extending the Free-Wilson approach from 1 series of homologues to another was demonstrated.This publication has 2 references indexed in Scilit:
- Structures Related to Morphine. XXXI.1 2'-Substituted BenzomorphansJournal of Medicinal Chemistry, 1965
- Chemical structure and biological activity ofp-disubstituted derivatives of benzeneCellular and Molecular Life Sciences, 1964