目的:对当归四逆汤化学成分谱和延长小鼠凝血酶时间的药效进行相关谱效分析,寻找与当归四逆汤延长小鼠凝血酶时间药效显著相关的药效成分群。方法:采用正交投影偏最小二乘法(Orthogonal partial least squares,OPLS)对当归四逆汤HPLC图...目的:对当归四逆汤化学成分谱和延长小鼠凝血酶时间的药效进行相关谱效分析,寻找与当归四逆汤延长小鼠凝血酶时间药效显著相关的药效成分群。方法:采用正交投影偏最小二乘法(Orthogonal partial least squares,OPLS)对当归四逆汤HPLC图谱数据和凝血酶时间药效数据之间的内在联系进行谱效分析,根据变异权重参数值(Variable importance in projection,VIP)来辨识显著活性成分,并通过高效液相色谱法对相应的活性成分进行单味药材的归属及鉴定。结果:确定了17个对延长凝血酶时间贡献较大的色谱峰,经归属,有6个峰来自于当归,6个峰来自于桂枝,5个峰来自于甘草,5个峰来自于白芍,当归四逆汤中的当归、桂枝、白芍、甘草对延长凝血酶时间贡献较大。从17个色谱峰中鉴定出6个成分,分别为阿魏酸、肉桂酸、芍药苷、甘草酸、甘草苷、异甘草苷。结论:OPLS可用于复方中活性成分群的发现,为解释中药复方多成分协同作用及开发与药效相关的质量控制方法提供科学依据。展开更多
Background:To explore the relevant targets of the Chinese herbal medicine compound Danggui-Sini Decoction(DGSND)for the treatment of systemic sclerosis(SSc).Method:We used TCMSP to enlist ingredients and Swiss Target ...Background:To explore the relevant targets of the Chinese herbal medicine compound Danggui-Sini Decoction(DGSND)for the treatment of systemic sclerosis(SSc).Method:We used TCMSP to enlist ingredients and Swiss Target Prediction for targets fishing,and the protein names by UniProt for organized as gene symbol.Strawberry Perl was used to integrate the active ingredients and the drugs action target of DGSND,with Cytoscape 3.9.0 software to construct"Active ingredient-Drug target"network.Then,GEO database,GeneCards database,TTDdatabase,DisGENent database and MalaCards database for SSc-related disease target prediction,and then analyzed the active drug targets of DGSND and SSc-related targets of Danggui-Sini Decoction treat SSc.Then,the above results we combined with STRING database to visualize the Protein-protein interaction(PPI)network for the core targets of SSc,and performed Gene ontology(GO)functional analysis and Kyoto Encyclopedia of Genomics(KEGG)signaling pathway enrichment analysis for SSc-related targets treated with DGSND Result:DGSND contains 223 active ingredients including Sitogluside,Benzoylpaeoniflorin,(-)-Asarinin Palbinone,Glycyro,4'DMEP etc.which acts on Signal transducer and activator of transcription 3(STAT3),Tumor Necrosis Factor(TNF),Vascular endothelial growth factor(VEGFA),Nuclear factor kappa-B(NFκB1),Interleukin(IL1β,IL17),Mitogen-activated protein kinase(MAPK)and Janus Kinase(JAK)and many other genes totaling 176,mainly involved in 4 more biological processes 3 molecular functions and 3 cellular components.Conclusion:DGSND is primarily used to treat SSc by regulating calcium homeostasis,inflammatory signaling pathways and neural cell repair and apoptosis-related pathways within the body.展开更多
文摘目的:对当归四逆汤化学成分谱和延长小鼠凝血酶时间的药效进行相关谱效分析,寻找与当归四逆汤延长小鼠凝血酶时间药效显著相关的药效成分群。方法:采用正交投影偏最小二乘法(Orthogonal partial least squares,OPLS)对当归四逆汤HPLC图谱数据和凝血酶时间药效数据之间的内在联系进行谱效分析,根据变异权重参数值(Variable importance in projection,VIP)来辨识显著活性成分,并通过高效液相色谱法对相应的活性成分进行单味药材的归属及鉴定。结果:确定了17个对延长凝血酶时间贡献较大的色谱峰,经归属,有6个峰来自于当归,6个峰来自于桂枝,5个峰来自于甘草,5个峰来自于白芍,当归四逆汤中的当归、桂枝、白芍、甘草对延长凝血酶时间贡献较大。从17个色谱峰中鉴定出6个成分,分别为阿魏酸、肉桂酸、芍药苷、甘草酸、甘草苷、异甘草苷。结论:OPLS可用于复方中活性成分群的发现,为解释中药复方多成分协同作用及开发与药效相关的质量控制方法提供科学依据。
文摘Background:To explore the relevant targets of the Chinese herbal medicine compound Danggui-Sini Decoction(DGSND)for the treatment of systemic sclerosis(SSc).Method:We used TCMSP to enlist ingredients and Swiss Target Prediction for targets fishing,and the protein names by UniProt for organized as gene symbol.Strawberry Perl was used to integrate the active ingredients and the drugs action target of DGSND,with Cytoscape 3.9.0 software to construct"Active ingredient-Drug target"network.Then,GEO database,GeneCards database,TTDdatabase,DisGENent database and MalaCards database for SSc-related disease target prediction,and then analyzed the active drug targets of DGSND and SSc-related targets of Danggui-Sini Decoction treat SSc.Then,the above results we combined with STRING database to visualize the Protein-protein interaction(PPI)network for the core targets of SSc,and performed Gene ontology(GO)functional analysis and Kyoto Encyclopedia of Genomics(KEGG)signaling pathway enrichment analysis for SSc-related targets treated with DGSND Result:DGSND contains 223 active ingredients including Sitogluside,Benzoylpaeoniflorin,(-)-Asarinin Palbinone,Glycyro,4'DMEP etc.which acts on Signal transducer and activator of transcription 3(STAT3),Tumor Necrosis Factor(TNF),Vascular endothelial growth factor(VEGFA),Nuclear factor kappa-B(NFκB1),Interleukin(IL1β,IL17),Mitogen-activated protein kinase(MAPK)and Janus Kinase(JAK)and many other genes totaling 176,mainly involved in 4 more biological processes 3 molecular functions and 3 cellular components.Conclusion:DGSND is primarily used to treat SSc by regulating calcium homeostasis,inflammatory signaling pathways and neural cell repair and apoptosis-related pathways within the body.
