3D-QSAR Analysis of Acyl Sulfonamides and Acyl Sulfamides As AT1 Selective Angiotensin-II Receptor Antagonists Based on Semiemperical AM1 Calculations

Abstract

Considering the importance of developing AT₁ selective Angiotensin-II receptor antagonists in management and treatment of hypertension, the present paper explores the selectivity requirements of acyl sulfonamides and acyl sulfamides for binding with AT₁ receptor. The best triparametric equation derived for 25 compounds explains the importance of certain pharmacophoric features like lower unoccupied molecular orbital energy (E_LUMO), Connolly accessible area(CAA) and Non-1, 4 vander Waals forces (VDW) for Angiotensin-II receptor antagonism. The statistically significant equation has been further validated by leave one out method.