Xanthine Oxidase Inhibitory Peptides From Sea Cucumber ( Stichopus japonicus ): Virtual Screening, Molecular Dynamics, and in Vitro Assessment

, and •OH radicals at 1.2 mg/mL. Cytotoxicity evaluation confirmed acceptable biocompatibility, with LO2 cell viability exceeding 80% for both peptides. Molecular dynamics simulations revealed that the GGPGDR/XOD complex possessed higher structural stability, as reflected by lower RMSD, a more compact conformation, and a more persistent hydrogen bond network. Collectively, these findings provide structural insight into peptide-XOD interactions and support the potential of sea cucumber-derived peptides as functional ingredients for hyperuricemia management. PRACTICAL APPLICATIONS: The peptides WGNEEF and GGPGDR, derived from Stichopus japonicus, exhibit xanthine oxidase inhibitory and antioxidant activities, showing potential as natural ingredients in functional foods or dietary supplements for the management of hyperuricemia and gout.