Abstract:Objective:To analyze the mechanism of Dantong Capsules in treating cholestasis based on network pharmacology method and molecular docking technique. Methods: Active ingredients and target proteins of Dantong Capsules were retrieved from the databases including Traditional Chinese Medicine Systems Pharmacology (TCMSP),HERB,PharmMapper and Uniprot. Target proteins related to cholestasis were obtained from the GeneCards database. Venn diagram was employed to identify the intersection of drug-disease target proteins. The network of active ingredients-targets of Dantong Capsules was constructed via Cytoscape 3.10.0 software, and core target proteins were identified. Protein-protein interaction (PPI) network analysis of the main active ingredients and drugs-diseases intersection target proteins was conducted via STRING database and Cytoscape 3.10.0 software. The core target proteins were subjected to Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis via the DAVID database. Molecular docking between the main active ingredients of Dantong Capsules and core target proteins was performed via PubChem database, PyMol and AutoDockTools software. Results: A total of 25 active ingredients of Dantong Capsules and 1 039 target proteins related to cholestasis were collected. The Venn diagram revealed 92 common target genes in the drugs-diseases intersection. The network analysis identified suchilactone, toralactone, sennoside E, 20-hexadecanoylingenol, (- ) -catechin and palmidin A as the major active ingredients of Dantong Capsules. PPI network analysis identified proteins such as albumin (ALB),mitogenactivated protein kinase 1 (MAPK1),and retinoid X receptor α (RXRA) as core target proteins. GO functional enrichment analysis indicated involvement in biological processes such as arginine metabolism,urea cycle and estrogen response. KEGG pathway enrichment analysis revealed participation in signaling pathways including arginine biosynthesis, thyroid cancer and endocrine resistance. Molecular docking results demonstrated the regulatory effect of Dantong Capsules' main active ingredients on core target proteins. Conclusion: Dantong Capsules exerts a therapeutic effect on cholestasis through multiple active ingredients targeting various pathways.