复方鱼腥草制剂在风热犯肺证治疗中的网络药理学机制探讨与分子对接模拟验证
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马国立，王建波，樊家乙
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河北省第一荣军优抚医院，河北邢台，054000
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摘要：本研究基于网络药理学与分子对接技术，系统解析复方鱼腥草制剂治疗风热犯肺证的“多成分-多靶点-多通路”协同机制。通过TCMSP 及ETCM2.0 数据库筛选出68 个活性成分（如槲皮素、木犀草素）及其242 个潜在靶点，与风热犯肺证相关靶点取交集获得21 个核心靶点。KEGG 富集分析显示，靶点显著富集于NF-κB、TNF 等炎症通路，揭示复方通过抑制促炎因子释放及调节免疫稳态实现“清热解毒”功效，分子对接验证核心成分与靶点的强结合活性。研究表明，复方鱼腥草制剂通过协同作用，多层次干预炎症-免疫网络，科学诠释了中医“透表清热、宣肺解毒”的治则。本研究为中药复方机制解析提供了“系统预测-分子验证”整合范式，并为风热犯肺证的精准治疗及药物开发奠定理论基础。
关健词：风热犯肺证；复方鱼腥草制剂；网络药理学
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Network Pharmacology Mechanism Exploration and Molecular Docking Simulation Verification of Compound Houttuynia Cordata Preparation in the Treatment of Wind-Heat Invading Lung Syndrome
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Guoli Ma,Jianbo Wang,Jiayi Fan
Hebei First Rongjun Youfu Hospital, Xingtai Hebei 054000, China
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Abstract：This study systematically elucidates the "multi-component, multi-target, multi-pathway" synergistic mechanism of Compound Houttuynia Cordata Preparation in treating Wind-Heat Invading Lung Syndrome based on network pharmacology and molecular docking techniques. Through the TCMSP and ETCM2.0 databases, 68 active components (such as quercetin, luteolin)and their 242 potential targets were screened, and 21 core targets were obtained by intersecting with targets related to Wind-Heat Invading Lung Syndrome. KEGG enrichment analysis revealed that the targets were significantly enriched in inflammatory pathways such as NF-κB and TNF, indicating that the compound achieves the effect of "clearing heat and detoxifying" by inhibiting the release of pro-inflammatory factors and regulating immune homeostasis. Molecular docking verified the strong binding activity of core components to targets. The study demonstrates that Compound Houttuynia Cordata Preparation intervenes in the inflammation-immune network at multiple levels through synergistic action, scientifically interpreting the TCM principle of "promoting heat clearance and lung detoxification." This research provides an integrated paradigm of "systematic predictionmolecular verification" for the mechanism analysis of traditional Chinese medicine compounds and lays a theoretical foundation for the precise treatment and drug development of Wind-Heat Invading Lung ndrome.
Keywords : Wind-Heat Invading Lung Syndrome; Compound Houttuynia Cordata Preparation; Network Pharmacology
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