New insight on antioxidants and anti-obesity properties of two Indonesian seagrass Thalassia hemprichii and Zostera marina: an integrated molecular docking simulation with in vitro study

Background: The oceans are teeming with a diverse range of marine organisms that offer unique health benefits, such as seagrass which is one many key products have garnered attention for their potential therapeutic properties. However, until now there been few successful reports seagrass’s metabolites profile and biological activity. Therefore, this work aims to or chemical constituents assess the antioxidants anti-obesity effects two Indonesian seagrasses, Thalassia hemprichii Zostera marina. Methods: Once authenticated, T. Z. marina were extracted different solvents, polar (ethanol) nonpolar (hexane). Metabolite profiling was performed using untargeted metabolomic via liquid chromatography coupled high-resolution tandem mass spectrometry method analysis, then antioxidant capabilities assessed by molecular docking in vitro studies on selected receptors. Results: A total 9 11 observed from continued docking. Some compounds promising inhibitors human inducible nitric oxide synthase, reactive oxygen species (ROS) 1 kinase, pancreatic lipase, fat obesity-associated (FTO) proteins, including luteolin, 6-hydroxy luteolin O-glucoside, luteolin-O-sulphate, Thalassiolin A, C, kaempferol-7,4'-dimethylether-3-O-sulfate, apigenin, diosmetin. ethanol extract (THE) EC50 value shows ABTS radical scavenging activity 76.00 μg/mL, smaller than standard controls (Trolox, 76.54 μg/mL) followed lipase inhibition THE has same pattern (EC50 < Orlistat). Conclusions: This concludes seagrasses candidates functional food and/or drugs in combating free radicals obesity.