3D QSAR Analysis of Flavones as Antidiabetic agents

Abstract

Diabetes is the most prevailing disease worldwide and emerged as the fourth leading cause of mortality. Inhibition of intestinal α-Glucosidase enzyme is an effective approach for controlling post prandial hyperglycemia. α-Glucosidase inhibitors are known to be very effective in decreasing post-prandial hyperglycemia but the existing drugs are weak inhibitors of α-Glucosidase and also have side effects. Hence it needs for new therapeutic candidate which can effectively inhibit the activity of α-Glucosidase. Flavones recognized as the potential lead structure for many pharmacological activities. In the present research work 3D QSAR (comparative molecular field analysis and comparative molecular similarity indices analysis) was carried out on a series of flavones to identify structural requirement for effective inhibition of α-Glucosidase enzyme. The QSAR results shows that the LOO cross-validated q2 values of CoMFA and CoMSIA models are 0.742 and 0.759, respectively. The outcome of this research work could be effectively utilized for design of better α-Glucosidase inhibitors.