Predicting Alkylbenzimidazole Derivatives as Angiotensin II Receptor Antagonists: 3d Qsar by kNN-MFA Approach
Mukesh Chandra Sharma, Dharm Veer Kohli, Hari Singh · 2011
Three dimensional quantitative structure-activity relationship (3D-QSAR) studies have been performed on a series of 2-alkylbenzimidazole derivatives using the kNN-MFA Approach (k-nearest neighbour molecular field analysis). The QSAR models were generated using 14 compounds. By using kNN-MFA approach, various 3D QSAR models were generated to study the effect of steric and electrostatic descriptors on angiotensin II receptor antagonists-activity. The kNN-MFA model generated from template based alignment showed q (cross validated r ) of 0.6836 with three descriptors namely S_363, H_1096, E_1204 and E_971. A non- 22