Rationalization of Physicochemical Property of Some Substituted Benzimidazole Bearing Acidic Heterocyclic Towards Angiotensin II Antagonist: A QSAR Approach
Abstract:
Various lead structures of the compounds of angiotensin
II antagonist are reported in the literature. Studying the Structure-Activity
Relationships (SAR) for such compounds has been a fascination for scientists
and efforts have been made to identify the essential physico-chemical
requirements for the angiotensin type 1 (AT1) receptor selective, angiotensin
type 2 (AT2) receptor selective and some AT1 and AT2 balanced antagonistic
activity compounds. With an aim to identify the structural requirements
for selective AT1 activity, a Quantitative SAR (QSAR) analysis was carried
out on a series of benzimidazole derivative bearing acidic heterocycle
AII receptor antagonists. The QSAR expressions were generated using 19
compounds and the predictive ability of the resulting model was evaluated
against a test set of 7 compounds. The internal (cross validated squared
correlation coefficient) and external consistency (predictive correlation
coefficient) of the QSAR model was 0.895 and 0.405, respectively. Analysis
of result from the present QSAR study indicates that geometrical, structural
and shape descriptors govern the angiotensin II AT1 inhibitory activity.
Anurekha Jain and S.C. Chaturvedi, 2008. Rationalization of Physicochemical Property of Some Substituted Benzimidazole Bearing Acidic Heterocyclic Towards Angiotensin II Antagonist: A QSAR Approach. Asian Journal of Biochemistry, 3: 330-336.
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