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Clinical Group

International Journal of Clinical Endocrinology and Metabolism



Abstract Open Access
Research Article PTZAID: IJCEM-3-124

Dipeptidyl Peptidase IV Inhibitory Activity of Berberine and Mangiferin: An In Silico Approach

Ipseeta Ray Mohanty*, Selvaa Kumar and Rajesh Suman

Background: Dipeptidyl peptidase-IV (DDP-IV) Inhibitors may represent single anti-diabetic drugs, the multiple actions of which may translate into demonstrable therapeutic benefits in   diabetes. The marketed synthetic DPP-IV Inhibitors are expensive drugs and have been reported to cause unacceptable adverse effects  such  as  pancreatitis,  angioedema,  thyroid  and  pancreatic  cancers.  In  this  scenario,  research  to  identify DPP-IV Inhibitors from alternative sources is desirable.

Aims and Objective: The study was designed to elucidate the DPP-IV Inhibitory activity of Berberine and Mangiferin, determine the binding sites and affinity of Berberine and Mangiferin for DPP- IV enzyme using in silico studies and compare it to synthetic DPP-IV Inhibitor: Vildagliptin.

Material  and  Methods: The  crystal  structure  of  human  DPP  IV  (PDB  Id:  2QT9)  was  downloaded  from Protein Databank. Berberine and Mangiferin were computationally designed and screened through in silico docking  studies  against  crystal  structure  of  DP-IV.  Computational  in  silico studies  were  used  to  identify  the  sites  as  well  as  amino  acid  residues  on  DPP-IV  enzyme  to  which  these  natural  DPP-IV  Inhibitors binds. 

Results: The  DPP-IV  Inhibitory  activity  of  Mangiferin  was  found  to  be  comparable  to  synthetic  marketed DPP-IV Inhibitors; Vildagliptin and Sitagliptin. Like Vildagliptin, Berberine and Mangiferin bind within the active site pocket (the 1st largest pocket) of DPP-IV enzyme whereas, Sitagliptin prefers to bind in the second largest pocket of DPP-IV enzyme. Berberine prefers to bind to the active site pocket of DPP-IV enzyme. Berberine binds very close to Glu205 and Glu206. As delineated using in silico binding energy results, Mangiferin, possess superior DPP-IV inhibitory activity as compared to Sitagliptin and Vildagliptin.  

Conclusion: In silico studies demonstrates that Berberine and Mangiferin possess significant DPP-IV Inhibitory activity comparable to marketed synthetic DPP-IV Inhibitors.

Published on: Jul 8, 2017 Pages: 18-22

Full Text PDF Full Text HTML DOI: 10.17352/ijcem.000024