首页|生物信息学引导下的逍遥散抗抑郁作用分析

生物信息学引导下的逍遥散抗抑郁作用分析

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目的 通过生物信息学方法分析逍遥散抗抑郁作用的潜在机制.方法 收集逍遥散药物的化学成分,筛选抑郁症疾病相关靶点,构建逍遥散"成分-靶点"网络和"化合物靶点-抑郁症疾病靶点"相互作用网络,进行网络聚类分析.基于毒药物动力学进行逍遥散活性成分筛选,并将具有高亲和力的化合物与靶点蛋白进行虚拟分子对接.结果 逍遥散的"成分-靶点"网络包括357 个化学成分节点、815 个潜在作用靶点节点以及8 109 条相互作用关系,"化合物靶点-抑郁症疾病靶点"网络共含有 847 个节点和 13 622 个相互作用关系.网络聚类分析共获得23 个子网络,有8 个子网络中含有逍遥散与抑郁症共同具有的靶点蛋白.毒药物动力学筛选共获得 4 个关键靶点及其对应的 10 个活性成分.结论 评分最高的子网络相关靶点显著富集于环磷酸腺苷(cyclic adenosine monophosphate,cAMP)信号通路,可能是逍遥散抗抑郁功能网络发挥作用的关键途径,筛选出逍遥散中 10 个活性化合物具有潜在抗抑郁作用.
Analysis on Antidepressant Effect of Xiaoyao Powder by Using Bioinformatics Methods
Objective To analyze the potential mechanism of the antidepressant effect of Xiaoyao powder by using bioinformatics methods.Methods The chemical components of Xiaoyao powder was collected and the depression related targets were screened.The"component-target"network and the"compound targets-depression targets"interaction network of Xiaoyao powder was constructed.The network clustering analysis was performed.The active ingredients of Xiaoyao powder was screened based on toxicokinetics.And the virtual molecular docking of high affinity compounds with target proteins was performed.Results The"component-target"network of Xiaoyao powder included 357 chemical component nodes,815 potential target nodes,and 8 109 interaction relationships.The"compound targets-depression targets"network contained a total of 847 nodes and 13 622 interaction relationships.The network clustering analysis obtained a total of 23 sub-networks,with 8 sub-networks contained target proteins shared by Xiaoyao powder and depression.Toxicopharmacokinetic screening yielded a total of 4 key targets and their corresponding 10 active ingredients.Conclusion The highest scoring sub-network related targets were significantly enriched in the cAMP signaling pathway,which may be a key pathway for the antidepressant functioning module of Xiaoyao powder,and 10 active compounds screened from Xiaoyao powder had potential antidepressant effects.

Xiaoyao powderDepressionBioinformatics

程正义、陈嫚、邹小娟、陈家旭、卞庆来

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湖北中医药大学基础医学院,武汉 430065

国药东风总医院,湖北 十堰 442000

北京中医药大学中医学院,北京 100029

暨南大学中医学院,广州 510632

湖北时珍实验室,武汉 430065

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逍遥散 抑郁症 生物信息学

湖北中医药大学"青苗计划"项目湖北中医药大学博士科研启动基金湖北省教育厅科研项目指导性项目湖北省自然科学基金联合基金

2021ZZX02810110438B20221202023AFD134

2024

中国中医基础医学杂志
中国中医研究院基础理论研究所

中国中医基础医学杂志

CSTPCD
影响因子:0.779
ISSN:1006-3250
年,卷(期):2024.30(5)
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