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目的 以网络药理学和分子对接技术为基础，探讨加味辛夷散对变应性鼻炎（AR）的潜在治疗机制。方法 利用TCMSP数据库筛选加味辛夷散的活性成分和作用靶点。从GeneCards、OMIM数据库获得AR相关靶点，使用Venny2.1在线作图工具平台绘制韦恩图，得到加味辛夷散与AR的交集靶点，上传至STRING数据库构建蛋白质-蛋白质相互作用网络。利用Bioconductor软件和R语言进行基因本体论（GO）富集及京都基因和基因组数据库（KEGG）通路富集分析；利用Cytoscape 3.9.2软件构建中药-活性成分-靶点网络，通过Auto Dock Vina 1.1.2软件进行分子对接，并使用Py MOL 2.5软件绘制分子对接模式图。结果 获取加味辛夷散治疗AR的潜在靶点164个，核心活性成分为槲皮素、山柰酚、黄芩素、柚皮素、川陈皮素，核心靶点为Akt1、白细胞介素-6、肿瘤坏死因子、白细胞介素-1β、前列腺素内过氧化物合酶2。加味辛夷散治疗AR主要通过晚期糖基化终末产物及其受体、PI3K-Akt、Toll样受体信号通路发挥抑制炎症反应、减轻黏膜炎症细胞浸润、调节免疫的作用。分子对接结果显示，核心靶点与核心活性成分具有良好的结合能力。结论 加味辛夷散可能通过槲皮素、山柰酚等活性成分，发挥抑制炎症反应、减轻黏膜炎症细胞浸润的作用。
Abstract：Objective To investigate the mechanism of Modified Xinyi Power in the treatment of allergic rhinitis(AR) based on network pharmacology and molecular docking technology. Methods Active components and targets of Modified Xinyi Power were screened and collected from TCMSP database. The AR-related targets were obtained from the GeneCards and OMIM databases. Online mapping tool platform Venny 2.1 was used to generate a Venn diagram identifying intersection targets between Modified Xinyi Power and AR, and these targets were uploaded to the STRING database to construct a protein-protein interaction(PPI) network. Gene Ontology(GO) enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway analyses were performed using Bioconductor software and RR language. The traditional Chinese medicine-active component-target network was constructed using the Cytoscape 3.9.2 software. Molecular docking was performed using the AutoDock Vina 1.1.2 software, and the molecular docking pattern diagram was drawn using the PyMOL 2.5 software. Results A total of 164 potential targets of Modified Xinyi Power for AR treatment were obtained. The core active components were quercetin, kaempferol, baicalein, naringenin and nobiletin, and the core targets included Akt1, IL-6, TNF, IL1B, and PTGS2. Modified Xinyi Power in treating AR mainly exerts the effects of inhibiting the inflammatory response, reducing mucosal inflammatory cell infiltration, and regulating immunity through signaling pathways such as the AGE-RAGE(advanced glycation end product and receptor for AGE), PI3K-Akt, and Toll-like receptor signaling pathways. Molecular docking showed strong binding ability between core targets and core active components. Conclusion Modified Xinyi Power may exert the effects of inhibiting the inflammatory response and reducing mucosal inflammatory cell infiltration through active components such as quercetin and kaempferol.
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基本信息:
DOI：10.16289/j.cnki.1002-0837.2026.01004
中图分类号:R285
引用信息:
[1]吴淑艳,李利清,周欢,等.基于网络药理学与分子对接探讨加味辛夷散治疗变应性鼻炎潜在作用机制[J].航天医学与医学工程,2026,37(01):17-23.DOI:10.16289/j.cnki.1002-0837.2026.01004.
基金信息:
2024年度上海市市级非物质文化遗产保护专项资金（徐氏儿科,B01A3）