Exploration on Action Mechanism of Baizhu Fuzi Decoction in Treating Membranous Nephropathy Based on Network Pharmacology and Molecular Docking Technology
Abstract: Objective: To analyze the action mechanism of Baizhu Fuzi Decoction in treating membranous nephropathy(MN)using network pharmacology and molecular docking technology. Methods:The effective chemical components of Baizhu Fuzi Decoction and their corresponding targets were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) and UniProt database. MN targets were collected from the GeneCards and DrugBank databases. Venn diagrams were drawn using the Venny 2.1.0 platform to obtain intersecting targets,which were visualized by Cytoscape 3.10.1 software to identify core components. The proteinprotein interaction(PPI)network was constructed by the STRING 11.5 database to screen core targets. Gene Ontology (GO)functional annotation and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses were performed using the Metascape platform combined with R language. Molecular docking experiments were conducted by AutoDock Tools 1.5.6 for ligand-receptor docking, and three-dimensional visualization was achieved using PyMOL 2.4.0. Results:A total of 42 active ingredient targets,172 drug targets,4 152 disease targets,and 71 intersecting targets were obtained. Quercetin, kaempferol, β-sitosterol, and hederagenin were identified as core components, while AKT serine/threonine kinase 1(AKT1),interleukin-6(IL-6),estrogen receptor 1(ESR1),epidermal growth factor receptor(EGFR), and peroxisome proliferator-activated receptor gamma(PPARG) were identified as core targets. GO analysis revealed 1 428 biological processes,27 cellular components,and 81 molecular functions. KEGG pathway analysis indicated that advanced glycation end-products-receptor(AGE-RAGE),hypoxia-inducible factor-1 (HIF-1),and interleukin-17(IL-17)signaling pathways might play important roles. Molecular docking showed good binding affinity between EGFR and PPARG with quercetin and kaempferol. Conclusion: Baizhu Fuzi Decoction can treat MN by acting on targets such as AKT1,IL-6,ESR1,EGFR,and PPARG through components like quercetin, kaempferol,β-sitosterol,and hederagenin,regulating pathways such as AGE-RAGE,HIF-1,and IL-17.