Potential Activity of Caryophyllene Derivatives as Xanthine Oxidase Inhibitor: An in silico Quantitative Structure-Activity Relationship Analysis

As the enzyme responsible for uric acid formation, Xanthine oxidase was considered to be a therapeutic target hyperuricemic treatment. This study carried out assess potential of caryophyllene, and its derivates usually present in natural product inhibit oxidase. The molecular docking using Autodock Tool Biovia Discovery Studio conducted visualize interaction reveal structure-activity relationship those compounds. results showed that caryophyllene higher affinity Oxide than Allopurinol. Among all, oxide has most stable bonding xanthine oxide. Structure-activity analysis chemical properties compound affected as site this study. number double bonds, substituents position, conformational structure related steric hindrance, presence lactone ring were assumed influence inhibitory activity derivates.