Comprehensive UPLC-ESI-Q-TOF-MSE Based Metabolomic Profiling of Ulva lactuca and Evaluation of its Biomedical Potential Using In vitro and In silico Approaches
摘要
Marine macroalgae have garnered significant attention in recent years for their diverse bioactive compounds and potential therapeutic applications. The methanolic extract of Ulva lactuca demonstrated the most potent anticandidal activity among seven tested macroalgal species with a MIC range of 62.5 µg/mL against five clinically relevant Candida strains. The extract effectively inhibited biofilm formation particularly in C. kefyr and C. parapsilosis. Chemical profiling using UPLC-ESI-Q-TOF-MSE identified numerous bioactive compounds from acetone, ethyl acetate, and methanol extracts of U. lactuca. In silico analysis revealed several compounds with higher docking scores than the antifungal drug Itraconazole, suggesting potential therapeutic applications. SwissADME analysis identified cytochalasan-type metabolites as more drug-like than sterol constituents from U. lactuca. The methanolic extract also exhibited significant anticancer activity against A549 cells, with an IC50 value of 551.23 µg/µL. The antioxidant activity of methanolic extract showed the lowest IC₅₀ (~ 85 µg/mL), followed by the acetone (~ 95 µg/mL) and ethyl acetate (~ 100 µg/mL) extracts. Importantly, toxicity assays using Artemia salina showed low toxicity even at high concentrations, indicating a safety profile. This research demonstrates the effectiveness of U. lactuca in combating both Candida infections and cancer, highlighting its dual therapeutic potential.