摘要
目的:通过网络药理学方法探析小活络丹治疗冻结肩的作用机制。方法:运用中药分子机制的生物信息学分析工具(a Bioinformatics Analysis Tool for Molecular mechANism of Traditional Chinese Medicine,BATMAN-TCM)提取小活络丹的药物有效成分以及潜在基因靶点,利用GeneCards平台检索冻结肩的作用靶点,对二者的检测结果提取交集靶点,构架蛋白互作(protein-protein interaction,PPI)网络分析、基因本体功能富集分析(gene ontology,GO)以及京都基因和基因组百科全书(Kyoto encyclopedia of genes and gnomes,KEGG)生物通路富集分析,构建“药物-成分-靶点-通路-疾病”网络。结果:筛选出小活络丹有效活性成分43个,涉及基因靶点346个,冻结肩疾病靶点1382个,药物与疾病交集靶点83个;PPI网络分析共获得83个节点,386条边,平均节点度值9.3,磷酸肌醇3激酶调控亚基(PIK3R1)、整联蛋白β2(ITGβ2)、组蛋白脱乙酰基酶2(HDAC2)等13个关联性最强的靶点可能是治疗冻结肩的核心靶点;GO功能分析中涉及生物过程(biological process,BP)的有238条,细胞组成(cellular component,CC)60条,分子功能(molecular function,MF)54条;KEGG通路富集分析出79条信号通路,主要包括神经活性配体-受体相互作用、c AMP信号通路等;复杂网络分析共有417个节点,935条边,平均度值4.48,度值最高的成分是没药中的肉桂醛和丁香酚,可能是小活络丹治疗冻结肩发挥关键作用的活性成分。结论:小活络丹治疗冻结肩具有多成分、多途径、多靶点的作用特点,为临床治疗冻结肩进一步提供理论依据。
Objective:To explore the mechanism of Xiaohuoluo Dan in the treatment of frozen shoulder by network pharmacology.Methods:A Bioinformatics Analysis Tool for Molecular mechANism of Traditional Chinese Medicine(BATMAN-TCM)was used to extract the drug active ingredients and potential gene targets of Xiaohuoluo Dan,and the GeneCards platform was used to retrieve the effect target of frozen shoulder.Intersection targets were extracted from the detection results of the two methods.The protein-protein interaction(PPI)network analysis,gene ontology(GO)functional enrichment analysis and the Kyoto encyclopedia of genes and gnomes(KEGG)biological pathway enrichment analysis were conducted to construct a“drug-component-target-pathway-disease”network.Results:43 active ingredients of Xiaohuoluo Dan were screened,involving 346 gene targets,1382 frozen shoulder disease targets,and 83 drug-disease intersection targets.A total of 83 nodes with 386 edges were obtained by PPI network analysis,and the average node degree value was 9.3.The 13 most relevant targets,including phosphoinositol 3 kinase regulatory subunit(PIK3R1),integrinβ2(ITGβ2),and histone deacetylase 2(HDAC2),may be the core targets for the treatment of frozen shoulder.In GO functional analysis,238 biological functions,60 cellular components(CC)and 54 molecular functions(MF)were involved in biological process(BP).KEGG pathway enrichment analysis identified 79 signaling pathways,mainly including neuroactive ligand-receptor interaction and cAMP signaling pathway.There were 417 nodes and 935 edges in the complex network analysis,with an average degree value of 4.48.The components with the highest degree value were cinnamaldehyde and eugenol in Moyao,which might be the active components of Xiaohuoluo Dan in the treatment of frozen shoulder.Conclusion:Xiaohuoluo Dan has the characteristics of multi-component,multi-pathway and multi-target action in the treatment of frozen shoulder,which provides further theoretical basis for clinical treatment of frozen shoulder.
作者
郭慧
胡晓丽
刘剑锋
白雪婷
Guo Hui;Hu Xiaoli;Liu Jianfeng;Bai Xueting(Liaoning University of Traditional Chinese Medicine,Shenyang Liaoning 110032;Affiliated Hospital of Liaoning University of Traditional Chinese Medicine,Shenyang Liaoning 110847;Guizhou University of Traditional Chinese Medicine,Guiyang Guizhou 550002;Xinglin College,Liaoning University of Traditional Chinese Medicine,Shenyang Liaoning 110016)
出处
《山西中医药大学学报》
2023年第3期291-298,共8页
Journal of Shanxi University of Chinese Medicine
基金
辽宁省自然基金指导计划(2019-ZD-0437)。
