苇茎汤治疗支气管扩张症作用机制的网络药理学分析及分子对接验证OA
Network Pharmacological Analysis and Molecular Docking Verification of the Mechanism of Weijing Decoction in the Treatment of Bronchiectasis
目的 探究苇茎汤治疗支气管扩张症的潜在作用机制.方法 首先在TCMSP数据库筛选苇茎汤组方药物的活性成分及作用靶点,从GeneCards数据库和DrugBank数据库中获取支气管扩张症的靶点;其次分别运用STRING数据库和Cytoscape软件构建PPI网络和"药物-成分-靶点"网络;然后采用R软件进行GO功能及KEGG通路富集分析;最后通过Autodock软件对关键活性成分及靶点进行分子对接.结果 筛选出药物活性成分41个,药物靶点49个,疾病靶点1365个,"药物-疾病"交集靶点9个,富集信号通路69条.结论 苇茎汤中豆甾醇、谷甾醇、β-谷甾醇等活性成分可能作用于PTGS2、HSP90AA1、ADRB2等关键靶点,通过调节IL-17信号通路、AGE-RAGE信号通路、TNF信号通路等治疗支气管扩张症.
Objective To explore the potential mechanism of Weijing decoction in the treatment of bronchiectasis.Methods Firstly,the active ingredients and action targets of Weijing decoction were screened in TCMSP database,and the targets for bronchiectasis were obtained from GeneCards database and DrugBank database.Secondly,PPI network and"drug-component-target"network were constructed using STRING database and Cytoscape software.Then,the GO function and KEGG pathway enrichment analysis were performed using R software.Finally,molecular docking of key active ingredients and targets was performed through Autodock software.Results A total of 41 active components,49 drug targets,1365 disease targets,9"drug-disease"intersection targets and 69 enriched signal pathways were screened out.Conclusion The active ingredients such as stigmasterol,sitosterol and β-sitosterol in Weijing decoction may act on key targets such as PTGS2,HSP90AA1 and ADRB2,and treat bronchiectasis by regulating IL-17 signaling pathway,AGE-RAGE signaling pathway and TNF signaling pathway.
杨小亮;袁雨来;敖素华
西南医科大学中西医结合学院,四川 泸州 646000西南医科大学附属中医医院呼吸内科,四川 泸州 646000
中医学
苇茎汤支气管扩张症作用机制网络药理学
Weijing decoctionBronchiectasisMechanismNetwork pharmacology
《医学信息》 2024 (014)
6-11 / 6
泸州市重点研发科技计划项目(编号:2022-SYF-43)
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