In the present study, we established an UPLC-QTOF-MSE based metabolomic approach in order to evaluate the holistic qualities and compare the quality difference by finding characteristic components of Panax notoginseng...In the present study, we established an UPLC-QTOF-MSE based metabolomic approach in order to evaluate the holistic qualities and compare the quality difference by finding characteristic components of Panax notoginseng extracts （PNE） and Xuesaitong （XST） injection samples from different manufacturers. The data were processed through unsupervised principal component analysis （PCA） and supervised orthogonal partial least squared discrimination analysis （OPLS-DA） to compare the quality differences. Two-dimensional PCA score plots showed a tendency to separate the XST injections and extracts, and most XST injection samples were clearly clustered into two groups. Especially, the injections from He and YB companies were distinguished into two groups. In addition, only injection samples of Hu company were near the cluster of PNE. To explore the potential chemical components contributing most to the differences between XST injection samples from different manufacturers and PNE, an S-plot was constructed following the OPLS-DA. Ginsenoside Rd, ginsenoside Rgl, ginsenoside Re, ginsenoside Rbl, 20（S）-ginsenoside Rhl, gypenoside VII, ginsenoside Rg2, ginsenoside Rh4, ginsenoside Rkl or Rgs, notoginsenoside Fc, 20（R）-ginsenoside Rg3, ginsenoside F2 and protopanaxadiol were recognized as characteristic chemical markers that contributed most to reflect the difference between XST injections and PNE. Ginsenoside Rd, ginsenoside Rgl, ginsenoside Re, ginsenoside Rbl and gypenoside VII were revealed as index components contributing most to the differences of PNE and XST injections, and quantitative analysis of these components could ensure the consistent quality of XST injections. Based on the fact that the injections should be standardized with the characteristic components as quality control chemical markers, it is most important to keep the quality of extracts of raw materials stable and reliable.展开更多
Objective:To systematically study the key active ingredients of Jiuwei Huaban pill in the treatment of psoriasis and explore its mechanism of action.Methods:The chemical components of Jiuwei Huaban pill were systemati...Objective:To systematically study the key active ingredients of Jiuwei Huaban pill in the treatment of psoriasis and explore its mechanism of action.Methods:The chemical components of Jiuwei Huaban pill were systematically identified by UPLC-QTOF/MSE,and network pharmacology method was used to study the main pharmacodynamic substances of Jiuwei Huaban pill and discuss the mechanism of action.Molecular docking technology was used to verify the binding activity of key components and target proteins.Results:A total of 75 components of Jiuwei Huaban pill were identified,35 of which were key components for psoriasis treatment,including luteolin,baicalin,baicalin,paeoniflorin and geniposide.Enrichment analysis of 30 core target pathways showed that Jiuwei Huaban pill played its role in the treatment of psoriasis from the IL-17 signaling pathway,TNF signaling pathway,PI3K-Akt signaling pathway,Th17 signaling pathway,and MAPK signaling pathway.The key active components in Jiuwei Huaban pill and targets with the highest DGREE value in the"component target disease"network have strong binding activity.Conclusion:The active ingredients and mechanism of action of Jiuwei Huaban pill in the treatment of psoriasis were preliminarily clarified,which provids reference for quality control.展开更多
文摘In the present study, we established an UPLC-QTOF-MSE based metabolomic approach in order to evaluate the holistic qualities and compare the quality difference by finding characteristic components of Panax notoginseng extracts （PNE） and Xuesaitong （XST） injection samples from different manufacturers. The data were processed through unsupervised principal component analysis （PCA） and supervised orthogonal partial least squared discrimination analysis （OPLS-DA） to compare the quality differences. Two-dimensional PCA score plots showed a tendency to separate the XST injections and extracts, and most XST injection samples were clearly clustered into two groups. Especially, the injections from He and YB companies were distinguished into two groups. In addition, only injection samples of Hu company were near the cluster of PNE. To explore the potential chemical components contributing most to the differences between XST injection samples from different manufacturers and PNE, an S-plot was constructed following the OPLS-DA. Ginsenoside Rd, ginsenoside Rgl, ginsenoside Re, ginsenoside Rbl, 20（S）-ginsenoside Rhl, gypenoside VII, ginsenoside Rg2, ginsenoside Rh4, ginsenoside Rkl or Rgs, notoginsenoside Fc, 20（R）-ginsenoside Rg3, ginsenoside F2 and protopanaxadiol were recognized as characteristic chemical markers that contributed most to reflect the difference between XST injections and PNE. Ginsenoside Rd, ginsenoside Rgl, ginsenoside Re, ginsenoside Rbl and gypenoside VII were revealed as index components contributing most to the differences of PNE and XST injections, and quantitative analysis of these components could ensure the consistent quality of XST injections. Based on the fact that the injections should be standardized with the characteristic components as quality control chemical markers, it is most important to keep the quality of extracts of raw materials stable and reliable.
基金National Major Science and Technology Project for"Major New Drug Development"(No.2017ZX09301005)。
文摘Objective:To systematically study the key active ingredients of Jiuwei Huaban pill in the treatment of psoriasis and explore its mechanism of action.Methods:The chemical components of Jiuwei Huaban pill were systematically identified by UPLC-QTOF/MSE,and network pharmacology method was used to study the main pharmacodynamic substances of Jiuwei Huaban pill and discuss the mechanism of action.Molecular docking technology was used to verify the binding activity of key components and target proteins.Results:A total of 75 components of Jiuwei Huaban pill were identified,35 of which were key components for psoriasis treatment,including luteolin,baicalin,baicalin,paeoniflorin and geniposide.Enrichment analysis of 30 core target pathways showed that Jiuwei Huaban pill played its role in the treatment of psoriasis from the IL-17 signaling pathway,TNF signaling pathway,PI3K-Akt signaling pathway,Th17 signaling pathway,and MAPK signaling pathway.The key active components in Jiuwei Huaban pill and targets with the highest DGREE value in the"component target disease"network have strong binding activity.Conclusion:The active ingredients and mechanism of action of Jiuwei Huaban pill in the treatment of psoriasis were preliminarily clarified,which provids reference for quality control.
