目的 基于数据挖掘、网络药理学及分子对接探讨《中医方剂大辞典》（第 2 版）（以下简称《大辞典》） 治疗特发性肺纤维化（IPF）的用药规律及作用机制。方法 以“肺痿”“肺痹”为关键词筛选《大辞典》中治疗 特发性肺纤维化的处方，依托古今医案云平台进行治疗特发性肺纤维化用药规律分析及处方挖掘，同时筛选出 经典核心方，运用 TCMSP、Herb 及 SwissTargetPrediction 等数据库对核心方进行中药成分筛选及靶点预测，结 合 Genecards 数据库筛选疾病靶点，通过 Venny 平台构建韦恩图获取交集，利用 STRING 平台构建蛋白互作网 络，采用 Cytoscape 构建“经典核心方-中药-成分-靶点-疾病”网络并筛选关键靶点，通过 Metaspace 进行 GO 和 KEGG 通路富集分析，运用 AutoDockTools、OpenBabel 进行分子对接，以 PyMOL 实现可视化。结果 《大辞 典》中潜在的治疗特发性肺纤维化处方 222 首，中药 298 味，高频药物 24 味，核心药物组合 4 类，用药以养 肺活血、化痰止咳为主，契合特发性肺纤维化气阴两虚、瘀痰阻络的病机。同时挖掘出 10 首经典方剂，其中 相似度最高的“清肺汤”确立为经典核心方，进一步通过网络药理学分析显示其含有槲皮素、山柰酚、天竺葵 色素等活性成分 62 个，作用于 MMP9、AKT1、TNF、HIF1A 等靶点，涉及激素反应、细胞迁移调控、HIF-1、 Th17 分化、AGE-RAGE 等多种生物过程和信号通路，分子对接证实其关键成分与靶点结合稳定。结论 《大辞典》 中针对特发性肺纤维化的治疗遵循标本兼治原则，经典核心方清肺汤清养合治，化痰止咳，可以多靶点、多通 路治疗特发性肺纤维化，为特发性肺纤维化治疗提供了新的思路。

Objective To investigate the medication rules and mechanism of Encyclopedia of Chinese Medicinal Formulas（2nd Edition）（hereinafter referred to as the Dictionary） for treating idiopathic pulmonary fibrosis （IPF） through data mining，network pharmacology，and molecular docking. Methods Prescriptions for IPF were screened from the Dictionary using keywords “lung atrophy” and “lung obstruction”. Medication rules analysis and prescription mining were conducted via the Ancient and Modern Medical Case Cloud Platform，followed by identification of classical core prescriptions. Active components and targets of the core prescriptions were predicted using TCMSP，Herb，and SwissTargetPrediction databases. Disease targets were obtained from Genecards，with intersecting targets visualized via Venny. Protein-protein interaction （PPI） networks were constructed using STRING，and a “classic core formula-herbcomponent-target-disease” network was established via Cytoscape to identify key targets. Gene Ontology （GO） and Kyoto Encyclopedia of Genes and Genomes （KEGG） pathway enrichment analyses were performed using Metascape.Molecular docking was conducted using AutoDockTools and OpenBabel，with visualization via PyMOL. Results The Dictionary contained 222 potential IPF prescriptions involving 298 herbs，with 24 high-frequency herbs and 4 core herb combinations. The medication strategy prioritized nourishing the lungs and activating blood circulation， resolving phlegm and relieving cough，aligning with IPF pathogenesis characterized by dual deficiency of qi and yin and phlegmstasis obstructing collaterals. Ten classical formulas were identified，with Lung-Clearing Decoction showing the highest similarity as the core formula. Network pharmacology revealed 62 active components （e. g.， quercetin， kaempferol， pelargonidin） acting on targets such as MMP9，AKT1，TNF，and HIF1A. These targets were enriched in biological processes （e.g.，hormone response，regulation of cell migration） and pathways （e.g.，HIF-1，Th17 differentiation， AGE-RAGE）. Molecular docking confirmed stable binding between key components and targets. Conclusion The Dictionary emphasizes simultaneous treatment of root cause and symptoms for IPF. The core prescription Lung-Clearing Decoction combines lung-clearing and nourishing strategies to resolve phlegm and relieve cough，exerting therapeutic effects through multi-target and multi-pathway mechanisms，offering novel insights for IPF treatment.

R285.5

国家自然科学基金项目（82160892）。