Docking studies on the interaction of flavonoids with fat mass and obesity associated protein.

Obesity is the excessive fat accumulation in human body leading to increases a risk of various chronic diseases such as diabetes, cardiovascular diseases, cancer and osteoarthritis. Several flavonoids are known to have lipolytic activity influencing lipolysis and adipogenesis in adipose cells. To explore mechanism of the association of flavonoids in obesity and obesity associated protein (FTO), molecular docking studies were done for FTO with flavonoids, with orlistat (antiobesity drug) as a control. Autodock tools were used for docking flavonoids and orlistat with FTO. The results were visualized by PyMol and Discovery studio visualizer. Upon docking simulation, it was observed that flavonoid quercetin showed highest binding affinity (most negative δG), whereas daidzein was least affinity towards FTO. The binding affinity of other flavonoids was in the order of Exemestane >Kaempherol >Letrozole >Rutin. This study concludes that flavonoids primarily, quercetin ameliorates obesity by establishing a physical interaction with FTO. Interactions were also observed between FTO and other flavonoids and were of not greater inhibition compared to quercetin.