Supplementary file _ Metabolite Profiling and Network Pharmacology of Persimmon Vinegar (<i>Diospyros kaki</i>) Compounds with In Silico Validation for Non-Small Cell Lung Cancer Therapy

This study investigated the potential of persimmon vinegar specifically its enhanced flavonoid content from spontaneous fermentation, to treat Non-Small Cell Lung Cancer (NSCLC). Current NSCLC treatments face challenges with complex mechanisms, drug resistance, and significant side effects. Liquid chromatography–tandem mass spectrometry (LC-MS/MS) identified compounds, which were then screened for their physicochemical properties, toxicity, and anticancer potential. Gene targets for NSCLC were retrieved from GeneCards and DisGeNET, with overlapping genes identified via a Venn diagram. A compound–target–disease network was built using Cytoscape, followed by KEGG pathway and Gene Ontology (GO) enrichment analysis to understand the molecular mechanisms. Molecular docking with Molegro Virtual Docker provided in silico validation. This research suggests that persimmon vinegar contains bioactive compounds capable of inhibiting key signaling pathways involved in NSCLC, highlighting its promise for developing novel NSCLC therapies.