Quantitative structureactivity relationship (QSAR) studies have been performed on some non-benzodiazepine series of benzodiazepine receptor (BZR) ligands, namely a series of thienylpyrazologuinolines and a series of imidazoquinoxalines. Studies reveal the merits and demerits of the substituents and their physicochemical properties in each case, in addition to the essential requirements for the binding for each type of ligand.
Quantitative structureactivity relationship (QSAR) studies are made on some nonbenzodiazepine ligands of benzodiazepine receptor (BZR), namely a series of 6-arylpyrrolo[2,1 -d][ 1 ,S]benzothiazepines, a series of pyrido[ 1,2-a]benzimidazoles, and a series of some fused imidazopyridines. A Fujita-Ban approach adopted for the first series led to the suggestion that the most advantageous substituents in the series were only 4-CI and 7-OCON(CH&. All other substituents were found to have negative contributions to the binding of the compounds with the BZR. In the case of pyrido[ 1,2-a]benzimidazoles, the 8-CONHR group was found to play an important role in the binding. The activity was found to be significantly correlated with the hydrophobic property of the R moiety and the electron-withdrawing ability of the ortho substituents in it. In the case of imidazopyridines, the Fujita-Ban approach revealed only the negative effects of the substituents that really mattered. By Hansch analysis these negative effects were accounted for by steric parameters.
A quantitative structure-activity relationship (QSAR) study is made on a series of Na + channel blockers (diphenylacetamide derivatives) and on a series of K + channel blockers (blockers of cardiac delayed rectifier potassium current I Ks ) (benzodiazepine derivatives). In both the cases, the blocking activity is found to be significantly correlated with Kier's first-order valence molecular connectivity index.
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