首页|基于网络药理学及分子对接技术探讨鼻窦炎颗粒的作用机制

基于网络药理学及分子对接技术探讨鼻窦炎颗粒的作用机制

Mechanisms of Bidouyan Granules Based on Network Pharmacology and Molecular Docking Technology

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目的 利用网络药理学及分子对接技术探讨鼻窦炎颗粒的作用机制.方法 通过中药系统药理学数据库检索鼻窦炎颗粒的活性成分及相对应靶点.利用Cytoscape 3.8.2软件构建"药物-活性成分-靶点"网络图筛选关键活性成分.从Drugbank、GeneGards数据库中检索鼻窦炎相关靶点,将其与药物靶点取交集获取共同靶点.在STRING数据库进行蛋白质-蛋白质相互作用分析,并筛选出治疗鼻窦炎的关键靶点.最后,对共同靶点进行富集分析,并对关键成分及靶点进行分子对接.结果 共检索到有关活性成分90个,靶点452个,活性成分作用靶点与鼻窦炎交集靶点89个.富集分析发现交集靶点可能通过调控免疫相关通路影响鼻窦炎患者的预后.分子对接结果显示核心靶点与关键化合物有较好结合性.结论 鼻窦炎颗粒活性成分可能通过与疾病靶点结合发挥治疗鼻窦炎的作用,为后续鼻窦炎的治疗研究和临床应用提供了理论参考.
Objective To explore the mechanism of action of Bidouyan granules based on network pharmacology and molecular docking.Methods The active ingredients and corresponding targets of Bidouyan granules were searched for using the Traditional Chinese Medicine Systems Pharmacology Data-base.Cytoscape 3.8.2 was used to construct a"drug-active ingredient-target"network diagram to screen for key active ingredients.Related targets for sinusitis were retrieved from Drugbank and GeneGards data-bases before being intersected with drug targets to obtain overlapped targets.Protein-protein interaction analysis and visualization were conducted in the String database to screen for key targets for the treatment of sinusitis.Finally,overlapped targets underwent enrichment analysis,and key components and targets were molecularly docked.Results There were 90 active components,452 targets of active components,89 targets of active components and disease intersection.Enrichment analysis found that the common targets might affect the prognosis of patients with sinusitis by regulating immune-related pathways.Molecular docking results showed that the core targets had good binding properties with key compounds.Conclusion Bidouyan granules are found to play a role in treating sinusitis through the combination of active ingredients and targets,which is expected to provide data for subsequent treatment,research and clinical applications.

network pharmacologymolecular dockingsinusitisBidouyan granules

陈婷、夏伟、熊雄、俞先水

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650032 云南昆明,联勤保障部队第920医院

网络药理学 分子对接 鼻窦炎 鼻窦炎颗粒

2024

解放军药学学报
中国人民解放军总后勤部卫生部 药品仪器检验所

解放军药学学报

影响因子:0.529
ISSN:1008-9926
年,卷(期):2024.37(6)