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Open Access | Published: 2016 - Issue 5

3D QSAR AND PHARMACOPHORE MODELING ON SUBSTITUTED CYANOPYRROLIDINES AS TYPE II ANTI-DIABETIC AGENTS POTENTIAL DIPEPTIDYL PEPTIDASE-IV INHIBITORS Download PDF


Udugade Babaso Vitthal and Gawade Shivaji Pratapro
Abstract

3D QSAR and Pharmacophore modeling on substituted cyanopyrrolidines as Type II anti-diabetic agents potential Dipeptidyl Peptidase-IV Inhibitors. Cyanopyrrolidines are an important chemical compounds having diverse significant medical functions. A series of cyanopyrrolidines as Type II anti-diabetic agents by numerous researchers were reported. 3DQSAR was performed to elucidate the three dimensional structural features which are vital for the Type II anti-diabetic activity. The results of 3D QSAR model (r2 a squared correlation coefficient 0.9945 and q2 a cross validated squared correlation coefficient 0.9866) demonstrate the highly degree of statistical importance and excellent predictive capability. The results breed from 3D QSAR can give significant information regarding the structural characteristics which are providers of the inhibitory potency of cyanopyrrolidines. In addition, pharmacophore modeling was used to

recognize the structural features of the cyanopyrrolidines which are essential for the biological activity of the compounds. The information acquired from this study can offer vital information for upcoming development of potent Type II anti-diabetic agents potential Dipeptidyl Peptidase-IV Inhibitors.

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Pharmacophore
ISSN: 2229-5402


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