Sci. Pharm. 2009; 77: 555–565
QSAR Study on 6-Substituted Benzimidazoles: An Insight into the Structural Requirement for the Angiotensin II AT1 Receptor Antagonist
Anurekha JAIN * 1, Subhash C. CHATURVEDI 2
1 B. R. Nahata College of Pharmacy, Rajiv Gandhi Technical University, Mhow-Neemuch Road 458001 Mandasur (M.P.), India.
2 School of Pharmacy, Devi Ahilya VishawaVidalaya, Takshashila Parser Khandawa Road, 452003 Indore (M.P.), India.
* Corresponding author. E-mail: anurekha_jain@yahoo.com (A. Jain).
Abstract
With an aim to identify the structural requirements for selective AT1 angiotensin antagonistic activity, a quantitative structure activity relationship (QSAR) analysis was carried out on a series of 6-substituted benzimidazole derivatives. The QSAR expressions were generated using 28 compounds and the predictive ability of the resulting model was evaluated against a test set of 12 compounds. The internal (cross validated squared correlation coefficient) and external consistency (predictive correlation coefficient) of the QSAR model was 0.78 and 0.40 respectively. In the present work QSAR analysis reveals that geometrical, structural, and shape descriptors govern the angiotensin II AT1 antagonistic activity.
Keywords
Nonpeptide Angiotensin II Antagonist • AT1 receptor • QSAR • Hypertension • RAS
Received January 30th, 2009 | Accepted June 5th, 2009 | Published Online June 6th, 2009
