中国药物警戒 ›› 2025, Vol. 22 ›› Issue (11): 1276-1281.
DOI: 10.19803/j.1672-8629.20250071

• 安全与合理用药 • 上一篇    下一篇

基于网络药理学及分子对接探讨过敏煎合玉屏风散治疗哮喘合并特应性皮炎作用机制

张慧婷1,2, 李友林2, 李磊3, 李春雷2, 史琦2, 李尚点4, 孙会卓1,2, 马文静5, 阎玥2*   

  1. 1北京中医药大学研究生院,北京 100029;
    2中日友好医院中西医结合肺病科, 北京 100029;
    3北京中医药大学东直门医院呼吸科,北京 100029;
    4河南省中医院,河南中医药大学第二附属医院肺病科,郑州 河南 450003;
    5浙江中医药大学泌尿外科,浙江 杭州 310006
  • 收稿日期:2025-02-08 出版日期:2025-11-15 发布日期:2025-11-14
  • 通讯作者: *阎玥,女,博士,副主任医师,中医药防治慢性咳喘类疾病的临床与应用基础研究。E-mail: Yueyue05@126.com
  • 作者简介:张慧婷,女,在读博士,中西医防治呼吸系统疾病的临床与基础研究。
  • 基金资助:
    国家自然科学基金资助项目（82305155、81904184）; 中日友好医院高水平医院临床业务费专项项目（2023-NHLHCRF-YYPPLC-ZR-07、2024-NHLHCRF-PY I-08）

Molecular Mechanism of TCM Formula in Treating Asthma Combined with Atopic Dermatitis Based on Network Pharmacology and Molecular Docking

ZHANG Huiting1,2, LI Youlin2, LI Lei3, LI Chunlei2, SHI Qi2, LI Shangdian4, SUN Huizhuo1,2, MA Wenjing5, YAN Yue2*   

  1. 1Graduate School, Beijing University of Chinese Medicine, Beijing 100029, China;
    2Department of Integrated TCM and Western Medicine for Pulmonary Diseases, China-Japan Friendship Hospital, Beijing 100029, China;
    3Dongzhimen Hospital of Beijing University of Chinese Medicine, Beijing 100029, China;
    4Department of Lung Diseases, the Second Affiliated Hospital of Henan University of Traditional Chinese Medicine, Zhengzhou Henan, 450003, China;
    5Department of Urology, Zhejiang University of Traditional Chinese Medicine, Zhejiang Jiangsu, 310006, China
  • Received:2025-02-08 Online:2025-11-15 Published:2025-11-14

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摘要： 目的 基于网络药理学和分子对接技术,探讨传统中药复方过敏煎合玉屏风散对哮喘合并特应性皮炎的潜在治疗机制。方法 通过TCMSP数据库筛选该复方的潜在活性成分及其靶点,并结合GeneCards、OMIM数据库获取疾病靶点,通过Venn图分析获得交集靶点。利用STRING数据库构建蛋白质相互作用网络（PPI）,并结合Metascape平台进行GO功能和KEGG通路富集分析。进一步采用分子对接技术验证核心靶点与活性成分的结合能力。结果 PPI相互作用网络分析发现IL6、STAT3、TNF、SRC、AKT1等是治疗的核心靶点,其中TNF信号通路和IL-17信号通路在哮喘合并特应性皮炎的治疗中可能发挥关键作用。分子对接结果表明,核心治疗靶标与槲皮素、山柰酚、异鼠李素等药物活性成分结合性良好。结论 中药复方过敏煎合玉屏风散可通过作用于核心靶点影响TNF、IL-17等多条信号通路,从而发挥治疗哮喘合并特应性皮炎的作用,为后续开展实验研究和临床应用提供参考。

关键词: 过敏煎合玉屏风散, 哮喘, 特应性皮炎, 槲皮素, 山柰酚, 异鼠李素, 网络药理学, 分子对接, 作用机制

Abstract: Objective To explore the underlying therapeutic mechanisms of the traditional Chinese medicine (TCM) formula-Guominjian combined with Yupingfengsan-in treating asthma complicated with atopic dermatitis using network pharmacology and molecular docking techniques. Methods Potential active ingredients and their corresponding targets in this TCM formula were identified using the TCMSP database. Disease-related targets were retrieved from the GeneCards and OMIM database. The intersection of these targets was determined using Venn diagram analysis. A protein-protein interaction (PPI) network was constructed with the STRING database, and enrichment analysis of Gene Ontology (GO) functions and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways was conducted using the Metascape platform. Molecular docking was employed to verify the binding affinity between the core targets and active ingredients. Results PPI network analysis revealed that such targets as IL6、STAT3、TNF、SRC and AKT1 were central to the therapeutic action. The TNF and IL-17 signaling pathways might play pivotal roles in the treatment of asthma complicated with atopic dermatitis. Molecular docking results indicated that the core therapeutic targets exhibited strong binding affinity with such active ingredients as quercetin, kaempferol, and isorhamnetin. Conclusion Guominjian combined with Yupingfengsan may combat asthma combined with atopic dermatitis by modulating multiple signaling pathways, such as those involving TNF and IL-17, via its action on core targets. This study provides data for subsequent experimental research and clinical applications.

Key words: Guominjian Combined with Yupingfengsan, Asthma, Atopic Dermatitis, Quercetin, Kaempferol, Isorha-

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