<![CDATA[Red dragon fruit (Hylocereus polyrhizus) peel waste is an abundant but underutilized biomass rich in bioactive compounds with potential as anti-aging agents. Addressing this issue, this study introduces a novel in silico multi-target approach to explore the bioactive potential of this waste. The objective is to identify molecular targets and evaluate binding affinities using network pharmacology, molecular docking, and ADMET predictions. Network pharmacology analysis of nine test compounds identified an intersection of 70 anti-aging-related target proteins. Topological analysis established AKT1, SRC, and TNF as the main hub proteins. Molecular docking simulations demonstrated that phyllocactin consistently exhibited the most stable binding affinity toward all targets, with the lowest Rerank Score on the TNF receptor (-176.727 kcal/mol), showing in silico competitive potential surpassing its native ligand. ADMET predictions indicated that phyllocactin possesses a favorable safety profile, being non-hepatotoxic and non-mutagenic for topical applications. In conclusion, phyllocactin from dragon fruit peel waste holds significant potential as a multi-target anti-aging candidate, although these preliminary findings warrant further experimental validation.]]>
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