基于网络药理学及分子对接技术探究“茯苓-半夏”药对治疗阻塞性睡眠呼吸暂停低通气综合征的作用机制
作者:
作者单位:

1.晋江市医院/上海市第六人民医院福建医院(福建 泉州 362200);2.厦门大学附属翔安医院(福建 厦门 361000)

作者简介:

蔡志胜,男,住院医师,医学硕士。主要从事呼吸系统疾病的临床研究。E-mail:979379421@qq.com.

基金项目:

※基金项目 全国名老中医药专家传承工作室建设项目(No.国中医药人教函〔2022〕75号);福建省名老中医药专家传承工作室建设项目(No.闽卫中医〔2018〕216号)


基于网络药理学及分子对接技术探究“茯苓-半夏”药对治疗阻塞性睡眠呼吸暂停低通气综合征的作用机制
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    摘要:

    目的 基于网络药理学及分子对接技术探究“茯苓-半夏”药对治疗阻塞性睡眠呼吸暂停低通气综合征(OSAHS)的作用机制。方法 通过TCMSP、TCMID、BATMAN-TCM数据库获取“茯苓-半夏”药对的主要活性成分并利用Uniprot获取药对主要活性成分的作用靶点;通过PharmGKB、GeneCards、OMIM及DurgBank数据库获取OSAHS疾病靶点并筛选出与“茯苓-半夏”药对的共同靶点;通过Cytoscape 3.9.0构建“药对-主要活性成分-作用靶点”网络、“药对-主要活性成分-OSAHS-治疗靶点”网络;通过String数据库构建“茯苓-半夏”药对与OSAHS共同靶点的PPI网络并筛选出核心靶点;通过DAVID数据库对共同靶点进行GO功能和KEGG通路富集分析;最后将药对主要活性成分与核心靶点运用AutoDock Vina进行分子对接验证并通过Pymol 2.5可视化。结果 筛选得到“茯苓-半夏”药对主要活性成分27个,作用靶点561个,药对靶点与OSAHS的5419个疾病靶点交集得到共同靶点124个;治疗OSAHS的主要活性成分包括酒酵母甾醇、卡文定碱及β-谷甾醇等;治疗OSAHS的核心靶点包括AKT1、IL6、TP53等;主要涉及癌症相关途径通路、PI3K-AKT通路、神经活性配体-受体相互作用通路等信号通路。分子对接结果显示酒酵母甾醇、卡文定碱及β-谷甾醇等主要活性成分与核心靶点能有效结合。结论 “茯苓-半夏”药对中的酒酵母甾醇、卡文定碱及β-谷甾醇等主要活性成分能通过作用于AKT1、IL6、TP53等核心靶点,调控癌症相关途径通路、PI3K-AKT通路、神经活性配体-受体相互作用通路等信号通路,发挥治疗OSAHS的疗效。

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蔡志胜,蔡华钰,吴志平,郭为汀.基于网络药理学及分子对接技术探究“茯苓-半夏”药对治疗阻塞性睡眠呼吸暂停低通气综合征的作用机制[J].,2024,23(6):42-48

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  • 收稿日期:2023-11-29
  • 最后修改日期:2024-08-18
  • 录用日期:2024-02-06
  • 在线发布日期: 2024-08-26