Indonesian Journal of Pharmaceutical Education
Vol 5, No 1 (2025): January–April 2025

In Silico Study of the Potential of Moringa oleifera Secondary Metabolites as α-Glucosidase Inhibitors

Bumulo, Nuraini (Unknown)
Aman, La Ode (Unknown)
Kilo, Jafar La (Unknown)
La Kilo, Akram (Unknown)
Salimi, Yuszda K. (Unknown)
Arviani, Arviani (Unknown)



Article Info

Publish Date
26 Feb 2025

Abstract

This study aims to evaluate the potential of Moringa oleifera secondary metabolites as inhibitors of the α-glucosidase enzyme using an in silico approach. The study employed molecular docking methods. The structure of the α-glucosidase enzyme was obtained from the Protein Data Bank (PDB ID: 3TOP), while the structures of Moringa oleifera secondary metabolites were sourced from the literature. Docking simulations were conducted using AutoDock Vina, and interaction results were analyzed using Discovery Studio. The analyzed parameters included binding affinity values and the interactions between ligands and active site residues of the enzyme. The results showed that several secondary metabolites of Moringa oleifera, such as lutein and 4-(α-L-rhamnopyranosyloxy)benzyl glucosinolate, exhibited strong binding affinity values: -10.93 kcal/mol for lutein and -10.27 kcal/mol for 4-(α-L-rhamnopyranosyloxy)benzyl glucosinolate. Benzyl glucosinolate enhanced the stability of the ligand-protein complex, demonstrating its potential as a more effective α-glucosidase inhibitor compared to acarbose, the currently used antidiabetic drug. Based on molecular docking analysis, the secondary metabolites of Moringa oleifera indicate great potential for further development as antidiabetic agents.

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Journal Info

Abbrev

ijpe

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemistry Materials Science & Nanotechnology Medicine & Pharmacology

Description

ndonesian Journal of Pharmaceutical Education (IJPE) adalah junal resmi yang diterbitkan oleh Jurusan Farmasi Universitas Negeri Gorontalo yang bekerja sama dengan IAI (Ikatan Apoteker Indonesia) Provinsi Gorontalo. Artikel pada jurnal ini dapat diakses dan unduh secara online oleh publik (open ...