Soybean is widely used in diets,and numerous reports have highlighted its antioxidant properties.However,constructing a methodology for rapid identifying and predicting a series of antioxidant active ingredients in So...Soybean is widely used in diets,and numerous reports have highlighted its antioxidant properties.However,constructing a methodology for rapid identifying and predicting a series of antioxidant active ingredients in Soybean presents certain challenges.Therefore,we introduced the spectrum-effect relationship-ingredient knockout identification technique to identify a series of antioxidant active ingredients in soybean.By combining untargeted metabolomics with network pharmacology,we predicted the antioxidant active ingredients and their target sites.We successfully identified 4 antioxidant active compounds(daidzein,genistein,daidzein,and glycitin)and 10 corresponding antioxidant targets(epidermal growth factor receptor(EGFR),estrogen receptor 1(ESR1),steroid receptor coactivator(SRC),tumor necrosis factor(TNF),kinase insert domain receptor(KDR),AKT serine/threonine kinase 1(AKT1),growth factor receptor bound protein 2(GRB2),signal transducer and activator of transcription1(STAT1),mitogen-activated protein kinase 8(MAPK8),B-cell lymphoma-2(BCL2))by our analysis.The validation results from cell experiments revealed that glycitin exhibited the best antioxidant activity and significantly influenced the expression of EGFR and the proteins associated with nuclear factor erythroid 2-related factor 2/NAD(P)H quinone dehydrogenase 1(NRF2/NQO1)signaling pathways.These findings were consistent with the predicted outcomes and were further confirmed in a zebrafish model.It suggests that glycitin may exert antioxidant effects by regulating the expression of EGFR,NRF2,and NQO1 proteins.The results demonstrate that a rapid analytical method for determining antioxidant activity was established.展开更多
Since the chromatographic fingerprint was introduced, it has been accepted by many countries to assess the quality and authenticity of Chinese herbal medicine （CHM）. However, solely using the chromatographic fingerp...Since the chromatographic fingerprint was introduced, it has been accepted by many countries to assess the quality and authenticity of Chinese herbal medicine （CHM）. However, solely using the chromatographic fingerprint to assay numerous chemicals is not suitable for the assessment of the whole internal quality and pharmacodynamics of CHM. Consequently, it is necessary to develop a rational approach to connecting the chromatographic fingerprint with effective components to assess the internal quality of CHM. For this purpose, a spec^tun-effect relationship theory was proposed and accepted as a new method for the assessment of CHM because of its potential use to screen effective components from CHM. In this paper, we systematically reviewed the application of the spectrum-effect relationship theory in the research of CHM, including research mentality, different chromatographic analysis techniques, data processing technologies, and structure determination.展开更多
The traditional Chinese medicine of Radix Hedysari plays an important role in invigorating gas for ascending, benefiting blood for promoting production of fluid, and promoting circulation for removing obstruction in c...The traditional Chinese medicine of Radix Hedysari plays an important role in invigorating gas for ascending, benefiting blood for promoting production of fluid, and promoting circulation for removing obstruction in collaterals, which is consistent with the principle of treatment for osteoporosis. This study is designed to investigate the bioactive components on increasing peak bone mass (PBM) by exploring the spectrum-effect relationship between chromatography fingerprints and effect. Multiple indicators are selected to evaluate the pharmacological activity. In fingerprints, 21 common peaks are obtained, five of which are identified. Furthermore, gray relational analysis (GRA) is a quantitative method of gray system theory and is used to describe the correlation degree of common peaks and pharmacological activities with relational value. 21 components are then divided into three different regions, of which ononin and calycosin play an extremely significant role in increasing PBM. In addition, factor analysis and hierarchical cluster analysis (HCA) are used to screen the optimal producing area for Radix Hedysari. This provides a comprehensive and efficient method to improve the quality evaluation of Radix Hedysari, confirming the bioactive components for PBM-enhancement and further develop its medicinal value.展开更多
Quality control and screening of active substances in traditional Chinese medicines have been performed using fingerprint analysis.The spectrum-effect relationship between chromatography fingerprints and efficacy of h...Quality control and screening of active substances in traditional Chinese medicines have been performed using fingerprint analysis.The spectrum-effect relationship between chromatography fingerprints and efficacy of herbal drugs is considered as a potentially useful method for determining active ingredients in complex mixtures.The study was designed to develop a method for determining the bioactive components of a compound Chinese medicine called Tiefeng based on spectrum-effect relationships between high-performance liquid chromatography(HPLC)fingerprints and anticoccidial activities.Four peaks of the established HPLC fingerprint indicate the main bioactive components of this medicine.In addition,pharrnacodynamic atlas was defined and used to assess the anticoccidial activity of Tiefeng from different sources for the first time.We found that the level of anticoccidial activity of Tiefeng was consistent with the degree of similarity between the pharmacodynamic atlas and chromatogram of any sample.Furthermore,effect of this medicine was related with the main active constituents,along with the origin and the harvesting time.展开更多
This study was designed to elucidate the immunoregulation of Ganoderma lucidum.HPLC fingerprint and spectrum-effect relationship of G.lucidum were established to predict the active compounds and BP neural network mode...This study was designed to elucidate the immunoregulation of Ganoderma lucidum.HPLC fingerprint and spectrum-effect relationship of G.lucidum were established to predict the active compounds and BP neural network model was established to predict the efficacy.Then the target compounds were identified by high resolution mass spectrometry.The results indicated that there are both enhanced immunity and immunosuppressive components in G.lucidum.BP neural network was trained with the common peak area and immune effi cacy index of G.lucidum fi ngerprint as samples,and a combined evaluation system of G.lucidum fi ngerprint effi cacy was established.The correlation coeffi cient R of BP network model was 0.98643,and the error of pharmacodynamic prediction results was in the ideal range.Eight compounds were identifi ed by high resolution mass spectrometry.The compounds related to immune activity in G.lucidum were determined in this study.展开更多
Lonicerae japonicae Flos(LF)is a kind of healthcare food with hepatoprotective function.This study was designed to explore the spectrum-effect relationships between UPLC fingerprints and the hepatoprotective effects o...Lonicerae japonicae Flos(LF)is a kind of healthcare food with hepatoprotective function.This study was designed to explore the spectrum-effect relationships between UPLC fingerprints and the hepatoprotective effects of LF.Fingerprints of ten batches of LF were established by UPLC-PDA.The inhibitory levels of AST and ALT were used as pharmacological indexes,and secoxyloganin,isochlorogenic acid A and isochlorogenic acid C were screened as hepatoprotective active compounds by grey relational analysis(GRA)and partial least squares regression analysis(PLSR).Caspase-3 was obtained by network pharmacology as a key target of hepatoprotective active compounds.Molecular docking is used to explore the interaction between small molecules and proteins.This work provided a general model of the combination of UPLC-PDA and hepatoprotective effect to study the spectrum-effect relationship of LF,which can be used to considerable methods and insight for the fundamental research of the material basis of similar healthcare food.展开更多
Objective: This study aimed to identify the main medicinal active components of Panax ginseng(P. ginseng) in the compatibility environment of clinical application. For this purpose, the anti-inflammatory ingredients o...Objective: This study aimed to identify the main medicinal active components of Panax ginseng(P. ginseng) in the compatibility environment of clinical application. For this purpose, the anti-inflammatory ingredients of P. ginseng were investigated based on its therapeutic effect in Sijunzi Decoction(SJD) which is a widely used traditional Chinese formula.Methods: The fingerprints of 10 batches of SJD consisting of different sources of P. ginseng were established by UPLC technique to investigate the chemical components. At the same time, the antiinflammatory effects of these components were evaluated by dextran sulfate sodium-induced ulcerative colitis mouse model. Grey relational analysis was applied to explore the correlation degree between fingerprints and anti-inflammatory effects in SJD. Lipopolysaccharide-stimulated RAW264.7 murine macrophages were established to evaluate the anti-inflammatory action of the screened effective substances of P. ginseng.Results: According to grey relational analysis, notoginsenoside R1, ginsenoside Rg2 and ginsenoside Rb3of P. ginseng were the major anti-inflammatory contributions in SJD. They had been proven to be closely associated with the anti-inflammatory process of SJD and displayed a close effect compared with SJD by LPS-stimulated RAW264.7 murine macrophages.Conclusion: Our work provides a general strategy for exploring the pharmacological ingredients of P. ginseng in traditional Chinese formulas which is beneficial for establishing the quality standards of traditional herbs in traditional Chinese medicine prescription based on their clinical therapeutic effect.展开更多
Objective To explore the active components with toxic effects in five Aconitum L. herbal medicines on Tetrahymena thermophila. Methods The fingerprints of five Aconitum L. herbal medicines were established by ultra-hi...Objective To explore the active components with toxic effects in five Aconitum L. herbal medicines on Tetrahymena thermophila. Methods The fingerprints of five Aconitum L. herbal medicines were established by ultra-high performance liquid chromatography （UPLC） and the toxicity was evaluated by using a TAM Air Isothermal Calorimeter on Tetrahymena thermophila SB1 10. Results By analyzing the spectrum- effect relationships between UPLC fingerprints and toxic effects, the active components which had the toxic effects were obtained. Conclusion This work provides a general model of the combination of UPLC and microcalorimetry to study the spectrum-effect relationships of the five Aconitum L. herbal medicines, which could be used to evaluate the toxic effects and analyze the principal toxic components of the five Aconitum L. herbal medicines. On the whole, this result provides the experimental basis for the safe use of the five Aconitum L. herbal medicines in clinic.展开更多
基金supported by National Key R&D Program of China(2022YFF1100300)Joint Fund of Henan Province Science and Technology R&D Program(235200810051)+1 种基金Key Project in Science and Technology Agency of Henan Province(242102310561)key research projects of higher education institutions in Henan Province(24B350002).
文摘Soybean is widely used in diets,and numerous reports have highlighted its antioxidant properties.However,constructing a methodology for rapid identifying and predicting a series of antioxidant active ingredients in Soybean presents certain challenges.Therefore,we introduced the spectrum-effect relationship-ingredient knockout identification technique to identify a series of antioxidant active ingredients in soybean.By combining untargeted metabolomics with network pharmacology,we predicted the antioxidant active ingredients and their target sites.We successfully identified 4 antioxidant active compounds(daidzein,genistein,daidzein,and glycitin)and 10 corresponding antioxidant targets(epidermal growth factor receptor(EGFR),estrogen receptor 1(ESR1),steroid receptor coactivator(SRC),tumor necrosis factor(TNF),kinase insert domain receptor(KDR),AKT serine/threonine kinase 1(AKT1),growth factor receptor bound protein 2(GRB2),signal transducer and activator of transcription1(STAT1),mitogen-activated protein kinase 8(MAPK8),B-cell lymphoma-2(BCL2))by our analysis.The validation results from cell experiments revealed that glycitin exhibited the best antioxidant activity and significantly influenced the expression of EGFR and the proteins associated with nuclear factor erythroid 2-related factor 2/NAD(P)H quinone dehydrogenase 1(NRF2/NQO1)signaling pathways.These findings were consistent with the predicted outcomes and were further confirmed in a zebrafish model.It suggests that glycitin may exert antioxidant effects by regulating the expression of EGFR,NRF2,and NQO1 proteins.The results demonstrate that a rapid analytical method for determining antioxidant activity was established.
基金supported by Ministry of Education Research Fund for the Doctoral Program(20130013120001 and 20120013130002)Beijing University of Chinese Medicine Young Teachers of Special Autonomy Issue(2013-QNJSZX008)Beijing University of Chinese Medicine Scientific Research Innovation Team(2011-CXTD-014)
文摘Since the chromatographic fingerprint was introduced, it has been accepted by many countries to assess the quality and authenticity of Chinese herbal medicine （CHM）. However, solely using the chromatographic fingerprint to assay numerous chemicals is not suitable for the assessment of the whole internal quality and pharmacodynamics of CHM. Consequently, it is necessary to develop a rational approach to connecting the chromatographic fingerprint with effective components to assess the internal quality of CHM. For this purpose, a spec^tun-effect relationship theory was proposed and accepted as a new method for the assessment of CHM because of its potential use to screen effective components from CHM. In this paper, we systematically reviewed the application of the spectrum-effect relationship theory in the research of CHM, including research mentality, different chromatographic analysis techniques, data processing technologies, and structure determination.
基金supported by the National Natural Science Funds of China(Grant No.81703664)Science and Technology Funds of Lanzhou,China(Grant No.201603111)
文摘The traditional Chinese medicine of Radix Hedysari plays an important role in invigorating gas for ascending, benefiting blood for promoting production of fluid, and promoting circulation for removing obstruction in collaterals, which is consistent with the principle of treatment for osteoporosis. This study is designed to investigate the bioactive components on increasing peak bone mass (PBM) by exploring the spectrum-effect relationship between chromatography fingerprints and effect. Multiple indicators are selected to evaluate the pharmacological activity. In fingerprints, 21 common peaks are obtained, five of which are identified. Furthermore, gray relational analysis (GRA) is a quantitative method of gray system theory and is used to describe the correlation degree of common peaks and pharmacological activities with relational value. 21 components are then divided into three different regions, of which ononin and calycosin play an extremely significant role in increasing PBM. In addition, factor analysis and hierarchical cluster analysis (HCA) are used to screen the optimal producing area for Radix Hedysari. This provides a comprehensive and efficient method to improve the quality evaluation of Radix Hedysari, confirming the bioactive components for PBM-enhancement and further develop its medicinal value.
基金funded by the National Key Technology R&D Program,China(2008 BADB4B05-02)
文摘Quality control and screening of active substances in traditional Chinese medicines have been performed using fingerprint analysis.The spectrum-effect relationship between chromatography fingerprints and efficacy of herbal drugs is considered as a potentially useful method for determining active ingredients in complex mixtures.The study was designed to develop a method for determining the bioactive components of a compound Chinese medicine called Tiefeng based on spectrum-effect relationships between high-performance liquid chromatography(HPLC)fingerprints and anticoccidial activities.Four peaks of the established HPLC fingerprint indicate the main bioactive components of this medicine.In addition,pharrnacodynamic atlas was defined and used to assess the anticoccidial activity of Tiefeng from different sources for the first time.We found that the level of anticoccidial activity of Tiefeng was consistent with the degree of similarity between the pharmacodynamic atlas and chromatogram of any sample.Furthermore,effect of this medicine was related with the main active constituents,along with the origin and the harvesting time.
基金This work was funded by the National Key R&D Program of China(2018YFD0400200)Key Project in Science and Technology Agency of Kaifeng City(1906006)Major Public Welfare Projects in Henan Province(201300110200).
文摘This study was designed to elucidate the immunoregulation of Ganoderma lucidum.HPLC fingerprint and spectrum-effect relationship of G.lucidum were established to predict the active compounds and BP neural network model was established to predict the efficacy.Then the target compounds were identified by high resolution mass spectrometry.The results indicated that there are both enhanced immunity and immunosuppressive components in G.lucidum.BP neural network was trained with the common peak area and immune effi cacy index of G.lucidum fi ngerprint as samples,and a combined evaluation system of G.lucidum fi ngerprint effi cacy was established.The correlation coeffi cient R of BP network model was 0.98643,and the error of pharmacodynamic prediction results was in the ideal range.Eight compounds were identifi ed by high resolution mass spectrometry.The compounds related to immune activity in G.lucidum were determined in this study.
基金financially supported by the National Natural Science Foundation of China (81973604, 81803690 and 81703684)Special Funds from the Central Finance to Support the Development of Local Universities+12 种基金the National Natural Science Foundation Matching Project (2018PT02)the Innovative Talents Funding of Heilongjiang University of Chinese Medicine (2018RCD25)the Postdoctoral Initial Fund of Heilongjiang Province (UNPYSCT 2017219)the University Nursing Program for Young Scholars with Creative Talents in Heilongjiang Province (UNPYSCT-2017215)the National Natural Science Foundation Matching Project (2017PT01)the Natural Science Foundation of Heilongjiang Province (H2015037)the Heilongjiang University of Chinese Medicine Doctoral Innovation Foundation (2014bs05)the Application Technology Research and Development Projects of Harbin Technology Bureau (2014RFQXJ149)the Heilongjiang Postdoctoral Scientific Research Developmental Fund (LBH-Q16210 and LBH-Q17161)the Heilongjiang University of Chinese Medicine Doctoral Innovation Foundation (2013bs04)the scientific research project of Heilongjiang Provincial Health Commission (20211313050171)Heilongjiang Touyan Innovation Team ProgramNational Famous Old Traditional Chinese Medecine Experts Inheritance Studio Construction Program of National Administration of TCM ([2022]No.75)
文摘Lonicerae japonicae Flos(LF)is a kind of healthcare food with hepatoprotective function.This study was designed to explore the spectrum-effect relationships between UPLC fingerprints and the hepatoprotective effects of LF.Fingerprints of ten batches of LF were established by UPLC-PDA.The inhibitory levels of AST and ALT were used as pharmacological indexes,and secoxyloganin,isochlorogenic acid A and isochlorogenic acid C were screened as hepatoprotective active compounds by grey relational analysis(GRA)and partial least squares regression analysis(PLSR).Caspase-3 was obtained by network pharmacology as a key target of hepatoprotective active compounds.Molecular docking is used to explore the interaction between small molecules and proteins.This work provided a general model of the combination of UPLC-PDA and hepatoprotective effect to study the spectrum-effect relationship of LF,which can be used to considerable methods and insight for the fundamental research of the material basis of similar healthcare food.
基金financially supported by Science Foundation of Jilin Educational Committee (No. JJKH20200363KJ)Jilin Science & Technology Development Plan (No. 20190304009YY). Jilin Science & Technology Development Plan (No. 20200404090YY)。
文摘Objective: This study aimed to identify the main medicinal active components of Panax ginseng(P. ginseng) in the compatibility environment of clinical application. For this purpose, the anti-inflammatory ingredients of P. ginseng were investigated based on its therapeutic effect in Sijunzi Decoction(SJD) which is a widely used traditional Chinese formula.Methods: The fingerprints of 10 batches of SJD consisting of different sources of P. ginseng were established by UPLC technique to investigate the chemical components. At the same time, the antiinflammatory effects of these components were evaluated by dextran sulfate sodium-induced ulcerative colitis mouse model. Grey relational analysis was applied to explore the correlation degree between fingerprints and anti-inflammatory effects in SJD. Lipopolysaccharide-stimulated RAW264.7 murine macrophages were established to evaluate the anti-inflammatory action of the screened effective substances of P. ginseng.Results: According to grey relational analysis, notoginsenoside R1, ginsenoside Rg2 and ginsenoside Rb3of P. ginseng were the major anti-inflammatory contributions in SJD. They had been proven to be closely associated with the anti-inflammatory process of SJD and displayed a close effect compared with SJD by LPS-stimulated RAW264.7 murine macrophages.Conclusion: Our work provides a general strategy for exploring the pharmacological ingredients of P. ginseng in traditional Chinese formulas which is beneficial for establishing the quality standards of traditional herbs in traditional Chinese medicine prescription based on their clinical therapeutic effect.
基金State Natural Science Foundation(81173571)The"Twelfth Five-Year Plan"Foundation of China People’s Liberation Army(CWS11C164)The Major Projects of the National Science and Technology(2012ZX10005010-002-002)
文摘Objective To explore the active components with toxic effects in five Aconitum L. herbal medicines on Tetrahymena thermophila. Methods The fingerprints of five Aconitum L. herbal medicines were established by ultra-high performance liquid chromatography （UPLC） and the toxicity was evaluated by using a TAM Air Isothermal Calorimeter on Tetrahymena thermophila SB1 10. Results By analyzing the spectrum- effect relationships between UPLC fingerprints and toxic effects, the active components which had the toxic effects were obtained. Conclusion This work provides a general model of the combination of UPLC and microcalorimetry to study the spectrum-effect relationships of the five Aconitum L. herbal medicines, which could be used to evaluate the toxic effects and analyze the principal toxic components of the five Aconitum L. herbal medicines. On the whole, this result provides the experimental basis for the safe use of the five Aconitum L. herbal medicines in clinic.
