网络药理学视角下复方鱼腥草制剂抗肺炎支原体感染的作用机制研究及分子对接验证
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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：肺炎支原体感染是一种常见的呼吸道疾病，其治疗难度和耐药性问题日益严重。复方鱼腥草制剂作为一种传统中药，具有抗病毒、抗菌和抗炎等功效，但其对抗肺炎支原体感染的作用机制尚不清楚。本研究通过网络药理学分析，识别了复方鱼腥草制剂中68种活性成分和242个潜在靶点，并通过与肺炎支原体感染相关靶点进行交集分析，最终确定了51个关键靶点。通过PPI网络分析和富集分析，发现这些关键靶点参与了IL-17信号通路、TNF信号通路等多个与肺炎支原体感染相关的通路。分子对接结果显示，复方鱼腥草制剂中的活性成分木犀草素、槲皮素、β-谷甾醇、山奈酚和豆甾醇与关键靶点JUN、PTGS2、TNF、MMP9、IL6、IFNG和IL1B具有良好的结合能力。
关健词：复方鱼腥草制剂；肺炎支原体感染；网络药理学；分子对接 |
Mechanistic Study and Molecular Docking Validation of Compound Yuxingcao Mixture against Mycoplasma pneumoniae Infection: A Network Pharmacology Approach
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Guoli Ma,Jianbo Wang,Jiayi Fan
The First Rongjun Special Care Hospital of Hebei Province, Xingtai, Hebei，054000, China
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Abstract：Mycoplasma pneumoniae infection is a common respiratory disease, with increasing challenges in treatment and drug resistance. Compound Yuxingcao Mixture, a traditional Chinese medicine, possesses antiviral, antibacterial, and anti-inffammatory properties; however, its mechanism of action against Mycoplasma pneumoniae infection remains unclear. In this study, network pharmacology analysis identiffed 68 active ingredients and 242 potential targets of Compound Yuxingcao Mixture. Through intersection analysis with Mycoplasma pneumoniae infection-related targets, 51 key targets were determined. PPI network analysis and enrichment analysis revealed that these key targets are involved in multiple pathways associated with Mycoplasma pneumoniae infection, including the IL-17 signaling pathway and TNF signaling pathway. Molecular docking results demonstrated strong binding afffnity between active ingredients (luteolin, quercetin, β-sitosterol, kaempferol, and stigmasterol) and the core targets (JUN, PTGS2, TNF, MMP9, IL6, IFNG, and IL1B).
Keywords : Compound Yuxingcao Mixture; Mycoplasma pneumoniae infection; network pharmacology; molecular docking
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