基于网络药理学及分子对接研究小儿荆杏止咳颗粒治疗急性支气管炎的作用机制李世珍和旭丽申翠平

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《临床用药研究》( ISSN3105-6741、EISSN3105-675X )

发布者：Quest Press

发布日期：2026/1/11

10.12479/questpress-lcyyyj.20250216

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基于网络药理学及分子对接研究小儿荆杏止咳颗粒治疗急性支气管炎的作用机制

李世珍和旭丽申翠平

1.吕梁市人民医院，山西吕梁，033099 2.太原市妇幼保健院，山西太原，030012 3.长治市人民医院，山西长治，046000

摘要：目的：通过网络药理学和计算机分子对接技术研究小儿荆杏止咳颗粒治疗急性支气管炎的作用机制。方法：使用TCMSP平台及文献数据搜索建立小儿荆杏止咳颗粒物质基础数据库，以ADMET3.0和TCMSP等平台进行成药性评价筛选，利用PDB及Uniprot数据库对靶点蛋白基因名称标准化；利用Genecards数据库和OMIM数据库对急性支气管炎的相关靶点进行收集和筛选；通过Venny2.1.0软件获取小儿荆杏止咳颗粒治疗急性支气管炎的潜在靶点后导入STRING数据库构建蛋白相互作用网络；采用Cytoscape3.10.3软件构建药物－成分－靶点网络；接着用David和Metascape数据库进行GO/KEGG通路富集。最后通过Autodockvina软件将小儿荆杏止咳颗粒活性成分与急性支气管炎核心靶点进行分子对接研究。结果：获得小儿荆杏止咳颗粒靶点1004个，急性支气管炎靶点1150个，小儿荆杏止咳颗粒作用于急性支气管炎靶点177个，进一步发现核心靶点与炎症通路密切相关。结论：小儿荆杏止咳颗粒可能通过鼠尾草素、5，7，2'，6'-四羟基黄酮、刺槐素、乌拉尔宁B、粘毛黄芩素Ⅱ等活性成分群多靶点多重作用机制共同作用，研究发现SRC、NFKB1、MTOR、CASP3和AKT1等为小儿荆杏止咳颗粒作用的核心靶点，通过调节白细胞介素信号传导通路、细胞迁移的正向调控、胃泌素信号传导、急性病毒性心肌炎等通路，起到抗炎、抗氧化作用，对急性支气管炎起到治疗作用，为小儿荆杏止咳颗粒临床治疗提供实验基础和理论依据。
关健词：小儿荆杏止咳颗粒；急性支气管炎；成药性评价；作用机制；网络药理学；分子对接

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.
Keywords : Xiao'er Jingxing Zhike Granules；Acute Bronchitis；Drug-likeness Evaluation；Mechanism of Action；Network Pharmacology；Molecular Docking

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