Abstract
The potential targeting of xanthine oxidase (XO) for the treatment of gout has been explored through animal and human experiments. To identify potential XO inhibitors, a virtual screening method was utilized to examine fatty acids from Hedyotis pilulifera. Molecular docking results demonstrated that all possible configurations of the fatty acid 9,12,13-trihydroxyoctadeca-10 E,15 Z-dienoic acid exhibited a strong binding affinity to XO. In vitro experiment also showed that this compound inhibited XO activity compared to the control compound. Molecular dynamic simulation was used to further investigate the interaction between the ligand and protein. Additionally, ADMET studies revealed that this compound has highly favorable drug-like properties and pharmacokinetics.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
