Study on the Mechanism of Action of Xiao'er Jingxing Zhike Granules in Treating Acute Bronchitis Based on Network Pharmacology and Molecular Docking
Shizhen Li1,Xuli He,Cuiping Shen
1.The People’s Hospital of Lvliang,Lvliang,Shanxi 033099,China
2.Taiyuan Maternity and Child Health Care Hospital,Taiyan,Shanxi 030012,China
3.Changzhi People's Hospital,Changzhi,Shanxi 046000,China
Abstract:Objective:To investigate the mechanism of action of Xiao'er Jingxing Zhike Granules in treating acute bronchitis using network pharmacology and molecular docking techniques.Methods:A material basis database for Xiao'er Jingxing Zhike Granules was established using the TCMSP platform and literature data. Drug-likeness evaluation and screening were conducted using platforms such as ADMET 3.0 and TCMSP. The target protein gene names were standardized using the PDB and Uniprot databases. Acute bronchitis-related targets were collected and screened using the Genecards and OMIM databases. Potential targets for Xiao'er Jingxing Zhike Granules in treating acute bronchitis were obtained using Venny 2.1.0 software and then imported into the STRING database to construct a protein-protein interaction (PPI) network. A drug-component-target network was constructed using Cytoscape 3.10.3 software. GO/KEGG pathway enrichment analysis was performed using the DAVID and Metascape databases. Finally,molecular docking studies were conducted using Autodock Vina software to investigate the interaction between the active components of Xiao'er Jingxing Zhike Granules and the core targets of acute bronchitis.Results:A total of 1004 targets for Xiao'er Jingxing Zhike Granules and 1150 targets for acute bronchitis were identified. Among these,177 targets were found to be common between Xiao'er Jingxing Zhike Granules and acute bronchitis. Further analysis revealed that the core targets are closely related to inflammatory pathways.Conclusion:Xiao'er Jingxing Zhike Granules may act on multiple targets and pathways through active components such as Salvigenin,5,7,2',6'-Tetrahydroxyflavone,Robinin,Uralenin B,and Viscidulin II. These components target core proteins such as SRC,NFKB1,MTOR,CASP3,and AKT1,regulating pathways including interleukin signaling,positive regulation of cell migration,gastrin signaling,and acute viral myocarditis. This multi-target,multi-pathway approach exerts anti-inflammatory and antioxidant effects,providing a therapeutic effect on acute bronchitis. This study provides an experimental and theoretical basis for the clinical use of Xiao'er Jingxing Zhike Granules in treating acute bronchitis.
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