Keywords
Autoimmune hepatitis (AIH)
Network pharmacology
Molecular docking technology
Submitted : 2025-12-16
Accepted : 2025-12-31
Published : 2026-01-15
Abstract
Objective: To explore the molecular mechanism and action pathways of Wumei Pill in the treatment of autoimmune hepatitis (AIH) using network pharmacology and molecular docking methods. Methods: The active components and targets of Wumei Pill, as well as AIH-related disease targets, were screened through the TCMSP, GeneCards, OMIM, and Disgenet databases. Cytoscape 3.9.1 was used to construct a series of topological networks, followed by Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis and Gene Ontology (GO) enrichment analysis. Molecular docking and visualization were performed using AutoDockTools 1.5.7 and PyMOL 2.4.0. Results: A total of 124 active components of Wumei Pill, 877 drug targets, 1130 disease targets, and 64 overlapping targets were obtained. GO enrichment analysis yielded 82 biological processes, 4 cellular components, and 19 molecular functions. KEGG pathway enrichment analysis identified 21 signaling pathways. Conclusion: Wumei Pill can act on targets such as Tumor Necrosis Factor (TNF), Caspase 3 (CASP3), C-X-C Motif Chemokine Ligand 8 (CXCL8), Nuclear Factor Kappa B Subunit 1 (NFKB1), and Transforming Growth Factor Beta 1 (TGFB1) through active components including girinimbine and (R)-tetrahydroberberine. It further regulates inflammation and apoptosis-related pathways such as tumor-related signaling pathways and Th17 cell differentiation pathway to treat AIH. This study provides a theoretical basis for in-depth research on the mechanism of Wumei Pill in the treatment of AIH and the development of therapeutic drugs.
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