3-D QSAR studies of triazolinone based balanced AT(1)/AT(2) receptor antagonists

Essential structural and physicochemical requirements in terms of common bi ophoric sites (pharmacophore) and secondary sites for binding and interacti ng with AT(1) and AT(2) receptors have been identified using APEX-3-D exper t system on 16 N-2- aryl triazolinone biphenyl sulphonamides. Among several biophoric 3-D QSAR models two models (Nos. 1 and 2) having R-2 > 0.7, chan ce < 0.05 and match > 0.5 and two models (Nos. 3 and 4) having R-2 > 0.89. chance < 0.03 and match > 0.5 with three biophoric sites and two secondary sites (except model No. 4 with three secondary sites) describe the variatio n in AT(1) and AT(2) antagonistic activities, respectively. (C) 2001 Elsevi er Science Ltd. All rights reserved.