In Silico biological evaluation of propolis for modulating Ghrelin, Leptin and CYP17A1 gene pathways in Polycystic Ovary Syndrome

Abstract

The study focused on identifying the potential phytochemicals from the propolis, a beehive byproduct, as a modulator in Ghrelin, Leptin and CYP17A1 gene pathways. From ADMET and molecular docking analysis, Quercetin and Chrysin show good binding interactions with target receptors and obey drug-like properties compared to the standard drug Lorcaserin. The Molecular dynamics simulation of protein-ligand complexes revealed Quercetin-binding proteins are slightly lower RMSD indicating a stable association of Quercetin with the Ghrelin receptor.