In-silico Reverse Docking Studies for the identification of potential of Betanin on some enzymes involved in diabetes and its complications
Diabetes and its complication results from metabolic disorders arise due to involvement of number of enzymes. The drug discovery and development involve targeting chemical entities to potentially elicit the inhibitory activity on such enzymes. In the present work enzymes were downloaded from protein data bank (PBD) and docked against energy minimized betanin molecule isolated from the beet root using mollegro software. The MolDock result indicated that the molecule is active against enzymes in the decreasing order aldose reductase PID: 4GQQ (- 191.486), alpha amylase PID: 4GQQ (-176.7), protein tyrosine phosphate PTP1β PID: 2F70 (-148.693), alpha glucosidase PID: 5NN8 (-144.983), dipeptidyl peptidase DPP-IV PID: 2RIP (-133.45). Betanin is active against all the possible enzymes involve in diabetes and its complication.
Keywords: Ziziphus nummlaria, Antidiabetic potential, Saponin, Alpha amylase activity.
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