3-D QSAR studies of triazolinone based balanced AT1/AT2 receptor antagonists |
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Authors: | Pandya T Pandey S K Tiwari M Chaturved S C Saxena A K |
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Institution: | Department of Pharmacy, SGSITS, Indore, India. |
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Abstract: | Essential structural and physicochemical requirements in terms of common biophoric sites (pharmacophore) and secondary sites for binding and interacting with AT1 and AT2 receptors have been identified using APEX-3-D expert system on 16 N2- aryl triazolinone biphenyl sulphonamides. Among several biophoric 3-D QSAR models two models (Nos. 1 and 2) having R2 > 0.7, chance <0.05 and match >0.5 and two models (Nos. 3 and 4) having R2 > 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 variation in AT1 and AT2 antagonistic activities, respectively. |
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