Hyperuricemia is a metabolic disorder associated with an increased concentration of uric acid in body fluid. X anthine oxidase, a homodimer metallo flavoprotein, is significant target for treating hyper uricemia as this enzyme leads a metabolic cascade responsible for uric acid synthesis. By leveraging natural molecules that tend to produce few adverse effects , naturally derived rhodanine (RH) and rhodanine acetic ac id (RA) with various therapeutic properties has been investigated for their anti hyperuricemia potency using in silico approach. The screening of potent xanthine oxidase inhibitor is performed using molecular docking, considering binding affinity (RH 5 = 8.2 kcal/mol), non bonding interactions (R A 5 = 21) and hydrogen bonds (R A 5 = 11) parameters . The lead compound (RA 5) is further subjected to molecular dynamic simulation and binding free energy calculation. Based on these findings, the study concludes that compound RA 5 has higher binding affinity and more stability than the control allopurinol , suggesting its potential as a promising therapeutic agent for hyperuricemia.