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.
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.
Authors who publish with this journal agree to the following terms:
- Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported License. that allows others to share the work with an acknowledgment of the work's authorship and initial publication in this journal.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgment of its initial publication in this journal.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work (See The Effect of Open Access).