In Silico Study of the Antidiabetic Effect of Ethyl Acetate Fraction of Banana Bract in Diabetic Rats
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Abstract
Diabetes mellitus is a chronic metabolic disorder characterized by hyperglycemia resulting from impaired insulin secretion, action, or both. Hyperglycemic conditions alter cell morphology and the extracellular matrix, including MDA, CRP, Nf-kB, and insulin. Anthocyanins, a class of flavonoids, exhibit antidiabetic activity by binding to specific receptors. These compounds exert their effects by competitively binding at the active site of the α-glucosidase enzyme. This study aims to predict the interaction of anthocyanin compounds with MDA, CRP, Nf-kB, and insulin receptors in silico. This study was conducted using AutoDock Vina software supported by the Vega ZZ, PyMOL, and BIOVIA Discovery Studio Visualizer program to create visual profiles of MDA, CRP, Nf-kB, and insulin ligand proteins, which were compared with anthocyanin compounds. Meanwhile, pharmacokinetic predictions were conducted using pkCSM. The post-docking analysis revealed that the binding affinity of anthocyanin compounds, as indicated by ΔGbinding scores, was most significant against Nf-kB (-7.36 kcal/mol; 84.40%), MDA (-6.53 kcal/mol; 111.81%), CRP (-4.00 kcal/mol; 167.36%), and insulin proteins (-4.51 kcal/mol; 182.60%), surpassing the ΔGbinding scores of acarbose, which were -1.08 kcal/mol (12.38%), -2.63 kcal/mol (45.55%), -3.77 kcal/mol (157.74%) and -0.08 kcal/mol (3.04%), respectively. These findings suggested that flavonoids, particularly anthocyanin, from ethyl acetate fraction of banana bract (Musa acuminata colla) have the potential as natural therapeutic agents for the treatment of type 2 diabetes mellitus.
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