EXPLORING THE BENEFITS OF HUA-JIE-XIAO-LIU DECOCTION FOR COLORECTAL CANCER IN ATHLETES: A NETWORK PHARMACOLOGY AND MOLECULAR DOCKING STUDY ON PHYSICAL FITNESS AND CANCER MANAGEMENT

Abstract

Purpose: This study employs network pharmacology and molecular docking to elucidate the molecular mechanisms and targets through which Hua-Jie-Xiao-Liu Decoction may benefit athletes dealing with colorectal cancer, focusing on its implications for maintaining physical fitness during cancer treatment. Methods: The study identified active constituents of Hua-Jie-Xiao-Liu Decoction and their relevant targets using the Traditional Chinese Medicine Systems Pharmacology (TCMSP) database. Differentially expressed genes in colorectal cancer were sourced from the Gene Expression Omnibus (GEO) database, with an overlap identified between the constituents’ targets and these genes. A protein-protein interaction (PPI) network was constructed, followed by Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses. Molecular docking of key constituents against target genes was performed with AutoDock software to assess binding efficacy. Results: Key components such as Quercetin, Luteolin, Wogonin, Baicalein, Aloe-emodin, and Nobiletin were highlighted among 221 active constituents. Fifty-eight common genes, including CCND1, MYC, and FOS, were identified at the intersection of drug-disease relationships and were significantly linked to the decoction’s active components. The PPI network pinpointed nine core targets, with GO and KEGG analyses indicating significant involvement in pathways critical for inflammation and tumor progression—factors particularly relevant for athlete health management. Molecular docking suggested strong potential interactions between the decoction’s constituents and key protein targets like CCND1, MMP9, and PTGS2. Conclusion: Hua-Jie-Xiao-Liu Decoction potentially offers therapeutic benefits for colorectal cancer through complex multi-target actions, impacting pathways that could influence both disease progression and physical fitness. For athletes, understanding these mechanisms may guide the integration of traditional medicinal practices with conventional treatments to optimize health and performance during and after cancer treatment. Further research is encouraged to validate these findings and explore practical applications in a sports medicine context.