2-(Oxadiazolyl)-and 2-(thiazolyl) imidazo [1, 2-a] pyrimidines as agonists and inverse agonists at benzodiazepine receptors

…, CR Gardner, RJ Gillespie, R Westwood

Index: Tully; Gardner; Gillespie; Westwood Journal of Medicinal Chemistry, 1991 , vol. 34, # 7 p. 2060 - 2067

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Citation Number: 258

Abstract

Conclusions Molecular fields, calculated with an H+ probe and AM1 partial atomic charges using a CoMFA method, reproduced and predicted the pK, values of 28 clonidine-like imidazoline analogues and 16 imidazoles. The results of this study show that the CoMFA treatment of electrostatic effects is suitable to predict pK, values and, along with our previous investigationla of this method, support ita application in studies of 3D quantitative ...