Action of Cyanidin-3-Glucoside on Anti-obesity: An In-silico Approach

Cyanidin-3-glucoside (C3G), a flavonoid is present in berries and has anti-obesity properties.Understanding the mechanisms underlying its effects on metabolic pathways linked to obesity is vital to its therapeutic use.The aim of this study is to investigate the interaction of C3G with key metabolic proteins, including AMP-activated protein kinase (AMPK), Adiponectin receptor 1 (AdipoR1), and Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PGC1), using in-silico methods.This in-silico study investigated C3G's binding affinities to AMPK, AdipoR1, and PGC1 using molecular docking simulations.Protein structures were created with Discovery Studio Visualizer 2020 and acquired from the Protein Data Bank.Using AutoDock 1.5.7,C3G was extracted from PubChem, its energy was reduced, and it was docked to the protein targets.Analysis was done on the root mean square deviation (RMSD) values, interaction types, and binding affinities.C3G had docking scores of -7.3, -7.3, and -7.8 kcal/mol for AMPK, AdipoR1, and PGC1, respectively, indicating strong binding affinities.Pi-anion, pi-alkyl, and hydrogen bonding were all engaged in the interactions.Stable binding conformations were indicated by low RMSD values, indicating that C3G may influence energy management and lipid metabolism.The potential of C3G as an anti-obesity drug was suggested by its remarkable binding affinities with important metabolic proteins.Additional in vitro and in vivo investigations are required to confirm these results and investigate the potential therapeutic uses of C3G.