目的 采用数据挖掘、网络药理学和分子对接探讨国家专利中药复方治疗慢性支气管炎 （CB） 的用药规 律及作用机制。方法 （1） 检索国家知识产权局专利数据库有关中药治疗 CB 的专利复方，运用 Excel 2021、 SPSS Modeler 18.0 和 SPSS Statistics 26.0 等软件对纳入的中药复方的高频中药、功效类别、性味归经进行频次 以及关联规则、系统聚类分析，筛选出核心药物组合。 （2） 采用中药系统药理学数据库与分析平台 （TCMSP） 、 HERB 等数据库获取药物组合的活性成分与作用靶点；GeneCards、OMIM 数据库获取 CB 的疾病相关靶点，并 通过 Venny 平台获取 CB 与药物组合靶点的交集。采用 Cytoscape 软件建立“药物-活性成分-靶点”网络，筛 选药物组合治疗 CB 的关键成分，并以 STRING 平台数据为基础，利用 Cytoscape 软件构建蛋白质-蛋白质相互 作用网络筛选药物组合治疗 CB 的核心靶点。通过 DAVID 数据库对交集靶点进行基因本体论 （GO） 和京都基因 与基因组百科全书 （KEGG） 通路富集分析，并采用 AutoDockVina 对药物组合治疗 CB 的关键成分与核心靶点进 行分子对接验证。结果 共纳入治疗 CB 中药复方专利 348 项，涉及中药 276 味。中药复方专利治疗 CB 的中 药以化痰药、止咳平喘药为主，常见的高频药物有陈皮、甘草、桔梗等。中药药性以温性为主，多归肺经、脾 经；药味以辛味、苦味多见。关联规则得到常用的药物组合有甘草-桔梗、甘草-陈皮、桔梗-陈皮、陈皮- 桔梗-甘草等；聚类分析得到白前-荆芥-百部-紫菀-陈皮-桔梗-半夏-紫苏子-甘草、五味子-细辛-川贝母- 茯苓-桑白皮等 4 首新处方，并筛选出核心药物组合为桔梗-甘草-陈皮。桔梗-甘草-陈皮治疗 CB 的核心成分 有光果甘草宁、甘草查尔酮 A、光甘草定、刺槐素、木犀草素、川陈皮素、橙皮苷等，关键治疗靶点有 AKT1、 TP53、GAPDH、TNF、IL6、EGFR、ALB、STAT3、SRC 等；其治疗机制主要与 PI3K-AKT、细胞凋亡、MAPK、 细胞黏附、VEGF 等信号通路有关。分子对接显示，关键靶点与核心成分具有良好结合能力。结论 国家专利中 药复方治疗 CB 以化痰为主，兼以止咳平喘、补虚等，其药物组合桔梗-甘草-陈皮的光果甘草宁、甘草查尔酮 A、木犀草素、川陈皮素等成分可通过作用于 AKT1、TP53、GAPDH、TNF 等多靶点，调控 PI3K-AKT、细胞 凋亡、MAPK 等信号通路，起到治疗 CB 的作用。

Objective To investigate the medication patterns and mechanisms of national patent Chinese herbal compounds for chronic bronchitis （CB） treatment using data mining，network pharmacology，and molecular docking. Methods （1） Patent formulas for CB treatment were retrieved from the China National Intellectual Property Administration database. High-frequency herbs，efficacy categories，properties （nature，flavor，and meridian tropism） ，association rules，and systematic cluster analysis were performed using Excel 2021，SPSS Modeler 18.0，and SPSS Statistics 26.0 to identify core drug combinations. （2） Active ingredients and targets of the core combinations were obtained from the Traditional Chinese Medicine Systems Pharmacology database and Analysis Platform （TCMSP） and HERB，while CB- related targets were extracted from GeneCards， OMIM database. Intersecting targets between CB and the drug combinations were identified via the Venny platform. A "drug-active component-target" network was constructed using Cytoscape to screen key therapeutic components. Protein-protein interaction （PPI） networks were built using STRING and Cytoscape to identify core therapeutic targets. Gene Ontology （GO） and Kyoto Encyclopedia of Genes and Genomes （KEGG） enrichment analyses were performed on intersecting targets using DAVID. Molecular docking validation was conducted via AutoDock Vina for key components and core targets. Results A total of 348 patent Chinese herbal compound prescriptions for the treatment of CB were included，involving 276 Chinese medicinals. The drugs in the patent TCM compound prescriptions for the treatment of CB were mainly expectorants and antitussive and antiasthmatic drugs，with warm nature being the most common，and mostly belonging to the lung and spleen meridians; the flavors were mainly pungent and bitter， among which the high-frequency drugs were Citri Reticulatae Pericarpium， Glycyrrhizae Radix et Rhizoma，Platycodonis Radix，etc. The association rules obtained the commonly used drug combinations such as Glycyrrhizae Radix et Rhizoma-Platycodonis Radix， Glycyrrhizae Radix et Rhizoma-Citri Reticulatae Pericarpium， Platycodonis Radix-Citri Reticulatae Pericarpium， Citri Reticulatae Pericarpium- Platycodonis Radix-Glycyrrhizae Radix et Rhizoma， etc. The systematic clustering analysis obtained four new prescriptions such as Cynanchi Stauntonii Rhizoma et Radix-Schizonepetae Herba-Stemonae Radix-Asteris Radix et Rhizoma-Citri Reticulatae Pericarpium-Platycodonis Radix-Pinelliae Rhizoma-Perillae Fructus-Glycyrrhizae Radix et Rhizoma，Schisandrae Chinensis Fructus-Asari Radix et Rhizoma-Fritillariae Cirrhosae Bulbus-Poria-Mori Cortex， etc. The core drug combination was screened out as Platycodonis Radix-Glycyrrhizae Radix et Rhizoma-Citri Reticulatae Pericarpium. The key components of Platycodonis Radix-Glycyrrhizae Radix et Rhizoma-Citri Reticulatae Pericarpium in the treatment of CB were Glycyrrhizin， Glycyrrhetin， Glycyrrhizic acid， Robinin， Luteolin， Nobiletin，Hesperidin，etc.，and the key therapeutic targets were AKT1，TP53，GAPDH，TNF，IL6，EGFR， ALB，STAT3，SRC，etc. The mechanism of action mainly involved PI3K-Akt，apoptosis，MAPK，cell adhesion VEGF and other signaling pathways. Molecular docking showed that the key targets had good binding ability with the core components. Conclusion National patent Chinese herbal compound for CB primarily resolve phlegm while incorporating antitussive/antiasthmatic and tonic effects. The Platycodonis Radix-Glycyrrhizae Radix et Rhizoma-Citri Reticulatae Pericarpium combination exerts therapeutic effects via multi-target （AKT1，TP53，GAPDH，TNF） modulation of PI3K-AKT，apoptosis，and MAPK pathways through components like glabridin，licochalcone A，luteolin，and nobiletin.

R285.6

国家自然科学基金区域创新发展联合基金重点支持项目 （U20A20398） ；国家自然科学基金面上项目 （82374399） ；安徽省科技厅临床 医学研究转化专项 （202204295107020045） 。