Ligand-based drug design studies using predictive pharmacophore model generation on 4H-1,2,4-triazoles as AT1 receptor antagonists

Angiotensin II subtype I receptor constitutes a successful target for the treatment of hypertension and cardiovascular diseases. In this study, the pharmacophore search was used to identify structural features that are common in the set of 4H-1,2,4-triazoles. The HypoGen algorithms implemented in the Catalyst software package was employed to create quantitative models. The common feature model for AT₁ included two ring aromatic features and two hydrophobic features with statistical values of 0.88 as correlation coefficient for training set. The best model Hypo 1 was validated using a test set of 38 compounds and cat-scramble validation method.