Abstract:Objective: To investigate the molecular mechanism of the Haizao Yuhu decoction combined with Sini powder, in combating thyroid tumor based on network pharmacology and molecular docking, and to provide potential drug targets. Methods: The components of Haizao Yuhu decoction combined with Sini powder were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). The thyroid tumor-related gene set was established using DrugBank, GeneCards, TTD, PharmGKB, and OMIM databases. The STRING database was used to construct the interaction network of thyroid tumor-Haizao Yuhu decoction combined with Sini powder target genes. The network was visualized using Cytoscape. Protein-protein interaction, Gene Ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were conducted to discover potential mechanisms. Molecular docking technology was used to analyze the effective compounds of Haizao Yuhu decoction combined with Sini powder in the treatment of thyroid tumor. Results:A total of 162 active compounds and 283 target genes were screened from Haizao Yuhu decoction combined with Sini powder. By intersecting Haizao Yuhu decoction combined with Sini powder and thyroid tumor gene sets, 256 potential targets were obtained. Network pharmacological analysis revealed that the active components of Haizao Yuhu decoction combined with Sini powder included quercetin, kaempferol, and luteolin. Protein-protein interaction network identified five core targets: TP53, AKT1, STAT3, ESR1, and MAPK1. GO and KEGG analysis results indicated that the treatment of thyroid tumor with Haizao Yuhu decoction combined with Sini powder mainly involved several signaling pathways such as Pathways in cancer, lipid and atherosclerosis, AGE-RAGE, and fluid shear stress and atherosclerosis. Molecular docking results showed that the binding energies of the active compounds of Haizao Yuhu decoction combined with Sini powder, including quercetin, kaempferol, and luteolin, with the core targets TP53, AKT1, STAT3, ESR1, and MAPK1 were all less than -6.0 kcal/mol, indicating good docking. Conclusion: Haizao Yuhu decoction combined with Sini powder can exert therapeutic effects on thyroid tumor through multiple targets and pathways.