Structure–activity relationships on adrenoceptors and imidazoline-preferring binding sites (I 1, 2-PBSs). Part 1: weak intramolecular H-bond and conformational …

…, G Dive, D Dehareng, F Heymans, JJ Godfroid

Index: Ye; Dive; Dehareng; Heymans; Godfroid Bioorganic and Medicinal Chemistry, 2000 , vol. 8, # 8 p. 1861 - 1869

Full Text: HTML

Citation Number: 3

Abstract

The highly selective I1-PBS imidazoline analogue PMS 952 has been selected to study the incidence of intramolecular hydrogen bond and molecular ilexibility on its biological activity. On one hand, the weak energy difference between three calculated conformers does not support the stabilization of one conformer by an internal hydrogen bond. The 3-D electrostatic map confirms this feature and the solvent effect does not significantly modify ...