MOLECULAR DOCKING STUDY OF ALPHA AMYLASE INHIBITORS FOR TREATMENT OF DIABETES MELLITUS

Diabetes mellitus is a heterogeneous group of diseases characterized by chronic elevation of glucose in the blood. It arises because the body is unable to produce enough insulin for its own needs, either because of impaired insulin secretion or impaired insulin action, or both. The present treatment of diabetes is focused on controlling and lowering blood glucose to a normal level. Several marketed drugs available for treatment of diabetes but with undesirable side effects. Naturally occurring flavanoids has profound effects on treating diabetes. In this study  molecular docking and docking analysis was performed using molegro software which were used to predict and understand between alpha amylase inhibitors and six quercetein derivatives. IVWI atomic coordinates was retrieved from protein data bank (PDB). All Ligands (Figure 1) were drawn by software chemsketch. Molegro virtual docker program that predicted interactions in terms of Dock score. The approach is applicable in engineering 3D structures of enzymatic models, and studying interactions of active site residues with ligands show that the three compounds: 2-(2-chloro-5-hydroxyphenyl)-4 H -chromen-4-one , 2-(4-bromo-2-hydroxyphenyl)-4 H -chromen-4-one , 2-(4-fluoro-2-hydroxyphenyl)-4 H -chromen-4-one could be a potent anti-diabetic target molecule against IVWI which may be worth for further clinical trials.