Hydropuntia edulis as a Nutritional Therapeutic Agent for Human Melanoma: In Silico Approach and In Vitro Validation for Functional Food Application
DOI:
https://doi.org/10.12873/Palavras-chave:
Hydropuntia edulis, melanoma, metabolomics, molecular docking, anticancer, antioxidant, marine bioactivesResumo
Background: Melanoma is one of the deadliest forms of skin cancer, with rising incidence and limited responsiveness to conventional chemotherapy. Marine macroalgae have recentlyemerged as a promising source of novel bioactive compounds with potential anticancer properties. Objective: This study aimed to investigate the anticarcinogenic andantioxidant potential of Hydropuntia edulis extract (HEE) using integrated metabolomicprofiling, in silico predictions, and in vitro validation against melanoma.
Methods: Untargeted LC-HRMS metabolomic profiling was conducted to identify bioactive constituents in HEE. Key compounds were further analyzed through structure–activity relationship (SAR), ADMET, and molecular docking simulations targeting melanoma-related proteins (BRAF, AKT1, EGFR, and TYRO3). Antioxidant and antiproliferative effects were assessed using DPPH and MTT assays on B16-F10 melanoma cells.
Results: Several metabolites including Sangivamycin, Michosterol C, Linamarin, andElaiomycin K were identified. SAR analysis showed high antineoplastic probability for Linamarin (Pa = 0.831), Sangivamycin (Pa = 0.730), and Michosterol C (Pa = 0.759).Michosterol C showed strong binding affinity to BRAF (−9.2 kcal/mol), comparable to Dabrafenib (−9.1 kcal/mol). HEE demonstrated dose-dependent DPPH radical scavenging andinhibited melanoma cell proliferation with IC50 values similar to positive controls.
Conclusion: Hydropuntia edulis holds promise as a natural therapeutic candidate against melanoma due to its multitargeted bioactive profile and significant in vitro efficacy. Further preclinical studies are warranted to explore its translational potential.
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