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Journal of Pharmacognosy and Phytochemistry
Peer Reviewed Journal

Journal of Pharmacognosy and Phytochemistry

Vol. 13, Issue 5 (2024)

Molecular dynamic study of hydroxytyrosol as dipeptidyl peptidase-4 inhibitor for type2 diabetes management

Author(s):

Lateef Abdulkadhim Malik

Abstract:

Population of diabetics has been worried expanding nowadays and numerous pharmaceuticals have been formulated for dealing with type-2 subtypes of diabetes disease. The emphasis medicine development is now shifting to natural resources due to the pressing demand in the contemporary context. Several phytochemicals have been researched for their anti-diabetic potential specially polyphenols compounds that are waste or as a by- products of agro-industrial processes.

The current study evaluated the efficacy of (Hydroxytyrosol 4-sulfate) HT that target dipeptidyl peptidase-4 (DPP4), a glycoprotein essential for glucose metabolism. Inhibition of DPP-4 elevate incretin levels (GIP and GLP-1), that suppress glucagon releasing thereby enhancing insulin secretion, reducing gastric emptying and reduce blood glycemic level. Molecular docking were conducted, assessed the stability and constancy of the complexes by (MDS) molecular dynamics simulations, and investigated their pharmacokinetic features. The binding energy of the compounds varied from -5.1 to - 6.5 Kcal/mol. Moreover, the post-molecular dynamics (MD) examination indicated that all of them exhibited significant stability, with DPP4 demonstrating comparable results. Also, The pharmacokinetic parameters of the substances demonstrated excellent characteristics for absorption, distribution, metabolism, and excretion. Our findings indicated that Hydroxytyrosol 4-sulfate could potentially be effective in DPP4 inhibition to regulate glucose levels.

Pages: 551-555  |  550 Views  169 Downloads


Journal of Pharmacognosy and Phytochemistry Journal of Pharmacognosy and Phytochemistry
How to cite this article:
Lateef Abdulkadhim Malik. Molecular dynamic study of hydroxytyrosol as dipeptidyl peptidase-4 inhibitor for type2 diabetes management. J Pharmacogn Phytochem 2024;13(5):551-555. DOI: 10.22271/phyto.2024.v13.i5h.15124

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