Abstract
The present study describes the development of 3D-QSAR studies on angiotensin II receptor based on the selected pharmacophore model. A four-point pharmacophore with one hydrogen bond acceptor (A), one hydrophobic (H), and two aromatic ring features (R) as pharmacophore features was developed by PHASE module. The pharmacophore hypothesis yielded a statistically significant model with good partial least-squares results. Thus, obtained 3D-QSAR model with partial least-squares (PLS) factor regression coefficient value (r2 = 0.9547) for training set and high value of cross-validated correlation coefficient Q2 = 0.7418, root-mean-squared error RMSE = 0.1257. This model was found to yield reliable clues for the further optimization of benzimidazole derivatives in the dataset, which plays an important role in molecular drug design approach.
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