Antidiabetic Activity, Molecular Docking, and ADMET Properties of Compounds Isolated from Bioactive Ethyl Acetate Fraction of Ficus lutea Leaf Extract

• Published in: Molecules (Basel, Switzerland) Switzerland), 2023-11, Vol.28 (23), p.7717
• Main Authors: Olaokun, Oyinlola O, Zubair, Muhammad S
• Format: Article
• Language: English
• Subjects: ADMET; antidiabetic; Antidiabetics; Diabetes; Disease; Ficus lutea; Flavonoids; Herbal medicine; Insulin; Metabolites; molecular docking; NMR; Nuclear magnetic resonance; phytochemical; Phytochemicals; Sterols
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules28237717

Diabetes contributes to the rising global death rate. Despite scientific advancements in understanding and managing diabetes, no single therapeutic agent has been identified to effectively treat and prevent its progression. Consequently, the exploration for new antidiabetic therapeutics continues. This study aimed to investigate the antidiabetic bioactive ethyl acetate fraction of at the molecular level to understand the molecular interactions and ligand-protein binding. To do this, the fraction underwent column chromatography fractionation to yield five compounds: lupeol, stigmasterol, α-amyrin acetate, epicatechin, and epiafzelechin. These compounds were evaluated in vitro through α-glucosidase inhibition and glucose utilization assays in C2C12 muscle and H-4-11-E liver cells using standard methods. In silico analysis was conducted using molecular docking and ADMET studies. Epicatechin exhibited the most potent α-glucosidase inhibition (IC = 5.72 ± 2.7 µg/mL), while epiafzelechin stimulated superior glucose utilization in C2C12 muscle cells (33.35 ± 1.8%) and H-4-11-E liver cells (46.7 ± 1.2%) at a concentration of 250 µg/mL. The binding energies of the isolated compounds for glycogen phosphorylase (1NOI) and α-amylase (1OSE) were stronger (