Mining Xanthine Oxidase Inhibitors from an Edible Seaweed Pterocladiella capillacea by Using In Vitro Bioassays, Affinity Ultrafiltration LC-MS/MS, Metabolomics Tools, and In Silico Prediction

The prevalence of gout and the adverse effects current synthetic anti-gout drugs call for new natural effective xanthine oxidase (XOD) inhibitors to target this disease. Based on our previous finding that an edible seaweed Pterocladiella capillacea extract inhibits XOD, XOD-inhibitory anti-inflammatory activities were used evaluate potential different P. fractions. Through affinity ultrafiltration coupled with liquid chromatography tandem mass spectrometry (LC-MS/MS), feature-based molecular networking (FBMN), database mining multiple products, extract’s bioactive components traced annotated. docking ADMET analysis, possibility drug-likeness annotated XOD predicted. results showed fractions F4, F6, F4-2, F4-3 exhibited strong inhibition activity, among which reached ratio 77.96% ± 4.91% at a concentration 0.14 mg/mL. In addition, also displayed activity. Affinity LC-MS/MS analysis out 20 compounds, 8 compounds have been previously directly or indirectly reported from seaweeds, 4 exhibit Molecular six seaweed-derived can dock activity pocket follow Lipinski drug-like rule. These support value further investigating as part development related functional foods.