UPLC-QToF-MS/MS–Based Metabolite Profiling and Network Pharmacology Analysis of Persimmon Vinegar Residue (Diospyros kaki L.) in Colorectal Cancer
Abstract
Colorectal cancer is one of the most prevalent malignancies of the digestive tract, and currently available anticancer therapies are generally nonselective and may cause toxicity to normal cells. Persimmon (Diospyros kaki L.) is known to contain bioactive compounds with potential anticancer properties. However, residues generated during persimmon vinegar production are often discarded as waste despite retaining various metabolites with potential biological activities. This study aimed to characterize the metabolite profile and predict the molecular mechanisms underlying the anti-colorectal cancer potential of a 96% ethanol extract of persimmon vinegar residue using metabolomic and in silico approaches. UPLC-QToF-MS/MS analysis putatively identified 25 metabolites based on accurate mass measurements and database matching using MassLynx and ChemSpider, with major constituents including andrographolide, 1,2,3-propanetriol–β-D-allopyranose (1:1), and 1,9-dideoxyforskolin. Network pharmacology analysis identified 40 overlapping target genes between the putatively annotated metabolites and colorectal cancer–related genes, which were enriched in several signaling pathways, including Wnt, MAPK, ErbB, PI3K/Akt, mTOR, apoptosis, and p53. These pathways were associated with 11 hub target genes, namely EGF, AKT1, JUN, MYC, MAPK1, MAPK3, BAX, CCND1, BCL2, TP53, and CASP3. Collectively, these findings provide preliminary evidence that persimmon vinegar residue contains bioactive metabolites associated with molecular targets and signaling pathways relevant to colorectal cancer, supporting its potential as a promising source of anti-colorectal cancer compounds that warrants further experimental validation.
Keywords: persimmon vinegar, Diospyros kaki L., colorectal cancer, metabolite profiling, network pharmacology.
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DOI: http://dx.doi.org/10.14499/indonesianjcanchemoprev16iss3pp221-241
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