目的 基于网络药理学及分子对接探讨槐花-地榆药对治疗溃疡性结肠炎（UC）的分子机制。方法 利用 TCMSP、SwissTargetPrediction 数据库筛选槐花-地榆药对的活性成分及成分靶点；采用 GeneCards 和 OMIM 数 据库筛选 UC 疾病靶点，并取成分靶点与疾病靶点的交集确定槐花-地榆药对治疗 UC 的潜在治疗靶点。利用 Cytoscape 3.9.0 软件与 STRING 数据库构建“药物-活性成分-靶点”网络及蛋白互作（PPI）网络，筛选出槐花- 地榆药对治疗 UC 的关键成分及核心靶点。采用 R4.1.1软件对潜在治疗靶点进行 GO 功能与 KEGG 通路富集分 析，并结合桑基图构建“关键成分-核心靶点-通路”网络。采用 AutoDock Vina 验证关键成分与核心靶点的结 合亲和力。结果 共筛选出槐花-地榆药对 13 个活性成分，84 个潜在治疗靶点；治疗 UC 的核心靶点有 AKT1、IL-6、TNF、IL-1B、JUN 等，关键成分有槲皮素、山柰酚、β-谷甾醇等。槐花-地榆药对治疗 UC 主 要与调控氧化应激、脂多糖反应等生物过程有关；KEGG 通路主要富集于 Toll 样受体通路、AGE-RAGE 信号 通路及 TNF、TL-17 通路等。桑基图结果呈现了槲皮素、山柰酚、β-谷甾醇等活性成分通过 IL-6、TNF、IL-1B、 JUN 等靶点调控关键信号通路的完整网络。分子对接结果显示，关键成分槲皮素、山柰酚、β-谷甾醇与核心 靶点（AKT1、IL-6、TNF、IL-1B、JUN）均具有高亲和力。结论 槐花-地榆药对可能通过槲皮素、β-谷甾醇等 成分靶向 AKT1、IL-6、TNF 等靶点，协同调控 Toll 样受体通路及 TNF、IL-17 炎症通路等，发挥治疗 UC 的 作用。

Objective To investigate the molecular mechanism of the Sophorae Flos-Sanguisorbae Radix （SF-SR） herb pair in treating ulcerative colitis （UC） based on network pharmacology and molecular docking. Methods Active components and their corresponding targets of the SF-SR herb pair were screened using the TCMSP and SwissTargetPrediction databases. UC-related disease targets were collected from the GeneCards and OMIM databases. The potential therapeutic targets for SF-SR against UC were identified by intersecting the component targets with the disease targets. The "herb-active component-target" network and the protein-protein interaction （PPI） network were constructed using Cytoscape 3.9.0 software and the STRING database to screen the core components and core targets of the SF-SR herb pair for UC treatment. Gene Ontology （GO） functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes （KEGG） pathway enrichment analysis were performed on the potential therapeutic targets using R4.1.1 software，and a "key component-core target-pathway" network was constructed in conjunction with a Sankey diagram. The binding affinity between key components and key targets was validated using AutoDock Vina. Results A total of 13 active components and 84 potential therapeutic targets were screened. The core targets for SF-SR in treating UC included AKT1，IL-6，TNF，IL-1B，and JUN，while the core components included quercetin，kaempferol， and β -sitosterol. The therapeutic effects of the SF-SR herb pair were primarily associated with the regulation of biological processes such as oxidative stress response and lipopolysaccharide response. KEGG pathway analysis revealed significant enrichment in the Toll-like receptor signaling pathway， AGE-RAGE signaling pathway， TNF signaling pathway， and IL-17 signaling pathway， among others. The Sankey diagram presented a comprehensive network illustrating how active components like quercetin， kaempferol， and β -sitosterol regulate key signaling pathways through targets such as IL-6，TNF，IL-1B，and JUN. Molecular docking validation demonstrated that the key active components，quercetin，kaempferol，and β-sitosterol，exhibited high binding affinity with the core targets （AKT1， IL-6，TNF，IL-1B，JUN）.Conclusion The Sophorae Flos-Sanguisorbae Radix herb pair may exert its therapeutic effect on ulcerative colitis by targeting molecules such as AKT1，IL-6，and TNF with components like quercetin and β-sitosterol，thereby coordinately regulating the Toll-like receptor signaling pathway as well as inflammatory pathways including TNF and IL-17 signaling.

R285.5

国家自然科学基金面上项目（82174189）；浦东新区卫生健康委员会卫生计生科研项目（PW2022B-17）；上海中医药大学附属第七人民 医院人才培养计划项目（JY2024-09）。