This study aimed to identify the potential metabolic biomarkers of the Badagan constitution(BC) in Mongolian medicine. Serum samples from the participants with BCs(n = 32) and aggregative constitutions(n = 30) were an...This study aimed to identify the potential metabolic biomarkers of the Badagan constitution(BC) in Mongolian medicine. Serum samples from the participants with BCs(n = 32) and aggregative constitutions(n = 30) were analyzed by using ultrahigh-performance liquid chromatography/mass spectrometry. Meanwhile, principal component analysis and orthogonal partial least squares discriminant analysis were used to characterize the endogenous metabolites and potential biomarkers, respectively. Fifteen of the 18 biomarkers in six metabolic pathways were significantly upregulated,including phosphatidylserine, sphingolipids, tryptophan, riboflavin and glutathione, and three biomarkers were significantly downregulated,including lysophosphatidylcholine(LysoPC)(18:1), LysoPC(16:1), and lysophosphatidylethanolamine(LysoPE)(22:2). This study also implied that sphingolipid metabolism, glycerophospholipid metabolism, and tryptophan metabolism played important roles in the BC. Therefore, metabolomics may improve the diagnostic efficacy of the BC in terms of the accuracy and comprehensiveness of a diagnosis based on this constitution. This result further reveals the mechanism of the constitution type in Mongolian medicine and provides a reference for the treatment of related diseases.展开更多
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 Targ...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。展开更多
基金supported by the National Natural Science Foundation of China(grant number 81660828)the Open Fund Project of Engineering Technology Research Center of Mongolian Medicine of Inner Mongolia(grant numbers MDK2018070,MDK2019034)+2 种基金MDK2019036National and local Joint Engineering Research Center for Mongolian Medicine Research Open Fund Projects(MDK2021035)the Natural Science Foundation of Inner Mongolia of China(grant number 2019MS08040)。
文摘This study aimed to identify the potential metabolic biomarkers of the Badagan constitution(BC) in Mongolian medicine. Serum samples from the participants with BCs(n = 32) and aggregative constitutions(n = 30) were analyzed by using ultrahigh-performance liquid chromatography/mass spectrometry. Meanwhile, principal component analysis and orthogonal partial least squares discriminant analysis were used to characterize the endogenous metabolites and potential biomarkers, respectively. Fifteen of the 18 biomarkers in six metabolic pathways were significantly upregulated,including phosphatidylserine, sphingolipids, tryptophan, riboflavin and glutathione, and three biomarkers were significantly downregulated,including lysophosphatidylcholine(LysoPC)(18:1), LysoPC(16:1), and lysophosphatidylethanolamine(LysoPE)(22:2). This study also implied that sphingolipid metabolism, glycerophospholipid metabolism, and tryptophan metabolism played important roles in the BC. Therefore, metabolomics may improve the diagnostic efficacy of the BC in terms of the accuracy and comprehensiveness of a diagnosis based on this constitution. This result further reveals the mechanism of the constitution type in Mongolian medicine and provides a reference for the treatment of related diseases.
文摘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。
