Assessment of the effect of flavonoids biomolecules on fat mass and obesity associated (FTO) protein as anti-obesity agents: An In-Silico study

Abstract

Recent studies on the management of obesity are centered on the ability of small compounds to modulate fat mass and obesity-associated protein (FTO). This study is aimed at investigating the inhibitory effects of flavonoid biomolecules on fat mass and obesity-associated protein (FTO) in silico. The studied ligands from methanol flavonoid-rich fraction of lime juice (MFLJ) and ethylacetate flavonoid-rich fraction of honey (EAFH) include quercetin, Epigallocatechin, p-Coumarin, Caffeic acid, Naphthoresorcinol, Gallic acid, and Sinapic acid. The ligands were characterized using high-performance liquid chromatography (HPLC). Molecular docking of the ligands and the FTO protein was performed using AutoDock Vina software. Results show that Ser-229, Tyr-108, Asp-233, and Glu-234 are the catalytic sub-units of the FTO protein, which were essential in hydrogen bond formation and interactions between ligands and the FTO protein. The ΔG value of binding affinity for all ligands revealed their potential as inhibitors of FTO protein. Quercetin (-8.2 Kcal/mol), epigallocatechin (-8.0 Kcal/mol), and p-coumarin (-7.3 Kcal/mol) possessed the highest inhibitory effect on the fat mass and obesity-associated (FTO) protein compared to the standard drugs (atorvastatin: -7.5 Kcal/mol and orlistat: -6.6 Kcal/mol). In conclusion, quercetin, epigallocatechin, and p-coumarin exhibited the highest inhibitory effect against FTO protein. This reveals their potential as anti-obesity agents that could be used in the treatment of obesity.