基于网络药理学的蒙药栀子三味散防治糖尿病的作用机制研究

Research on the mechanism of Mongolian medicine Zhizisanwei Powder in preventing and treating diabetes based on lnternet pharmacology

目的:基于网络药理学方法预测蒙药栀子三味散治疗糖尿病的有效成分及作用机制。方法:通过TCMSP并结合文献查找蒙药栀子三味散药物的化学成分,通过PubChem、Swiss Target Prediction数据库搜索并收集蒙药栀子三味散潜在靶点;通过GeneCards、TTD和OMIM数据库整合去重得到最终的糖尿病疾病靶点;利用DAVID 6.8对潜在靶点进行GO注释和KEGG通路富集分析,应用Cytoscape 3.6.0软件构建“活性成分-靶点-通路”网络;利用Discovery Studio软件对核心靶点及其相对应成分进行分子对接。结果:从蒙药栀子三味散中筛选出31个活性成分,得到蒙药栀子三味散与糖尿病共同靶点203个,涉及P13K-Akt、钙信号通路、cAMP信号通路、胰岛素信号通路等7条信号通路。分子对接结果表明主要活性成分与核心靶点蛋白有良好的结合活性。结论:蒙药栀子三味可通过多成分、多靶点、多途径发挥治疗糖尿病的作用。

Inner Mongolia University for Nationalities;Center for Medical Experiments,China Academy of Chinese Medical Sciences;Inner Mongolia Mongolian Medicine Co.,Ltd.;Research and Development Center of Chinese Medicine,China Academy of Chinese Medical Sciences;Objective:To predict the potential active ingredients and the mechanism of treating diabetes with Mongolian medicine Zhizi Sanwei Powder using network pharmacology method.Methods:Active ingredients of Mongolian medicine Zhizi Sanwei Powder were gathered from TCMSP,the potential targets of Mongolian medicine Zhizi Sanwei Powder were searched and collected from Pubchem and Swiss Target Prediction databases;GeneCards、TTD and OMIM databases were used for data integration and deduplication to obtain the final diabetes mellitus targets.Use DAVID 6.8 for GO annotation and KEGG pathway enrichment analysis of potential targets,and use Cytoscape 3.6.0 software to construct the"active ingredient-target-pathway"network.Use Discovery Studio software for molecular docking of core targets and their corresponding components.Results:31active ingredients were screened from the Mongolian medicine Zhizi Sanwei Powder,it could treat diabetes by intervening 203targets and adjusting 7 pathways such as PI3K-Akt signaling pathway,Calcium signaling pathway、cAMP signaling pathway and Insulin signaling pathway.The results of molecular docking showed that the main active components had good binding activity with the core target protein.Conclusion:Mongolian medicine Zhizi Sanwei Powder could treat diabetes mellitus via multiple ingredients,targets and pathways.