基于生物信息学研究巴达干现代医学意义

To Investigate the Badagan's Modern Medical Sense Based on Bioinformatics Methouds

目的基于生物信息学方法解析蒙医学中巴达干的现代医学意义。方法(1)借助中国知网平台收集以中文形式收录的巴达干相关资料;(2)比较毒理基因组学数据库(The Comparative Toxicogenomics Database,CTD)、治疗靶点数据库(Therapeutic Target Database,TTD)用于收集目标疾病靶点,中药系统药理学数据库(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)和SwissTargetPrediction数据库用于收集并预测药物的潜在人体吸收成分及作用靶点;(3)Venny在线平台检索目标疾病及药物的共有靶点;(4)String数据库联合Cytoscape软件构建共有靶点的蛋白互作网络;(5)注释、可视化和集成发现数据库(The Database for Annotation,Visualization and Integrated Discovery,DAVID)及Metascape数据库用于对目标靶点进行GO、KEGG常规生物功能富集分析;(6)PubChem用于获取关键化合物结构,UniPort获取目标蛋白结构,Auto Dock软件对结构优化后进行分子对接,并通过PyMOL可视化蛋白与化合物的对接关系。结果(1)整理后得到疾病相关基因373个,化合物靶点571个,共有目标82个;(2)蛋白互作网络(Protein-Protein Interaction Networks,PPI)展示找出82个蛋白的相互关系,并筛选出AKT1(丝氨酸/苏氨酸蛋白激酶)、TNF(肿瘤坏死因子)和EGFR(表皮生长因子受体)3个核心靶点;(3)对目标靶点经DAVID富集功能后得到179条生物过程和通路。结论本研究借助生物信息学探索蒙医理论中巴达干的现代医学意义,发现巴达干与众多医学概念相关,不仅仅包括某一类或者单一系统的疾病,归属巴达干的药物同样包括多种类型。

Objective To analyze the modern medical significance of Badagan in Mongolian medicine based on bioinformatics.Methods(1)Collect Badagan related data in Chinese with the help of CNKI platform;(2)The Comparative Toxicology Database(CTD)and Therapeutic Target Database(TTD)are used to collect target disease targets,Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and SwissTargetPrediction databases are used to collect and predict potential human absorption components and action targets of drugs;(3)Venny online platform searches common targets of target diseases and drugs;(4)String database and Cytoscape software are used to build a protein interaction network with common targets;(5)The Database for Annotation,Visualization and Integrated Discovery(DAVID)and Metascape databases perform GO and KEGG routine biological function enrichment analysis on target targets;(6)PubChem is used to obtain the structure of key compounds.UniPort obtains the structure of target protein AutoDock software to perform molecular docking after structural optimization,and visualize the docking relationship between protein and com-pounds through PyMOL.Results(1)373 disease related genes,571 compound targets and 82 targets were ob-tained;(2)Protein Protein Interaction Networks(PPI)showed the relationship of 82 proteins in the common target,and screened three core targets,AKT1(serine/threonine protein kinase),TNF(tumor necrosis factor)and EGFR(epidermal growth factor receptor);(3)After DAVID enrichment,179 biological processes and path-ways were obtained from the target target.Conclusion This study explored the modern medical significance of Badagan in Mongolian medical theory with the help of bioinformatics,and found that Badagan is related to many medical concepts,not only including a certain type or a single system of diseases,but also including many types of drugs belonging to Badagan.