Study of Moringa Leaf Ethanol Extract Compounds on Alpha-Glucosidase Receptor as Anti-Diabetic with Molecular Docking Method

Studi Senyawa Ekstrak Etanol Daun Kelor terhadap Reseptor Alfa-Glucosidase Sebagai Antidiabetes dengan Metode Docking Molecular

Abstract

Type 2 diabetes mellitus is a chronic metabolic disorder characterized by elevated blood glucose levels, commonly managed by inhibiting the α-glucosidase enzyme responsible for carbohydrate breakdown. However, the use of synthetic α-glucosidase inhibitors such as acarbose often results in gastrointestinal side effects, highlighting the need for safer alternatives. Moringa oleifera leaves are known to be rich in bioactive compounds with potential antidiabetic properties. This study aimed to evaluate the inhibitory potential of secondary metabolites from the ethanol extract of Moringa leaves against the human α-glucosidase receptor (PDB ID: 3TOP) through an in silico molecular docking approach. Ligand structures were prepared and optimized, and docking validation yielded an RMSD value of 0.000 Å, indicating high reliability of the method. Zeaxanthin, apigenin, and naringenin demonstrated the lowest binding energies (-9.4, -9.1, and -9.0 kcal/mol, respectively), outperforming the positive control, acarbose. Apigenin and naringenin also formed hydrogen bonds with active site residues, supporting their potential as competitive inhibitors. ADMET predictions showed that apigenin and naringenin possess favorable pharmacokinetic profiles, including high absorption, moderate tissue distribution, and adequate clearance, making them strong candidates for oral antidiabetic therapy. In conclusion, apigenin and naringenin from Moringa leaves are promising α-glucosidase inhibitors and warrant further experimental validation as alternative antidiabetic agents