Identification of Phenolic Compounds from Nettle as New Candidate Inhibitors of Main Enzymes Responsible on Type-II Diabetes.

Current Drug Discovery Technologies
Bouchentouf SalimSoumaya Kress

Abstract

In medicinal chemistry, the discovery of small organic molecules that can be optimized and lead to a future drug capable of effectively modulating the biological activity of a therapeutic target remains a major challenge. Because of the harmful secondary effects of synthesized therapeutic molecules, the development of research has been oriented towards phytomedicines. Phenolic compounds from medicinal plants are constantly explored for new therapeutic use. In this paper, we studied interactions between main enzymes responsible for causing type 2 diabetes mellitus (T2DM) and phenolic compounds from nettle (Urtica dioica L.) using molecular Docking with Molecular Operating Environment Software (MOE). Docking results show a common molecule (secoisolariciresinol), which may form stable complexes with depeptidyl peptidase 4 (DPP-4), alpha-amylase and beta-glucosidase with binding energy of -7.04732084 kcal/mol, -3.82946181 kcal/mol and -4.16077089 kcal/mol respectively. Besides secoisolariciresinol, other phenolic compounds give better docking score than the original co-crystallized ligand for alpha-amylase (PDB ID 5U3A) and beta-glucosidase (PDB ID 1OGS). The obtained results are promising for the discovery of new alpha-amylase and...Continue Reading

References

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May 26, 2017·Phytotherapy Research : PTR·Marina FranciškovićNeda Mimica-Dukić

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Citations

Aug 28, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Saheed SabiuStephen O Amoo
Aug 31, 2021·Journal of Biomolecular Structure & Dynamics·Almahi I MohamedMd Shahidul Islam

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