Objective:To explore the molecular biological mechanism of the"salvia chinensis and radix ranunculi ternati"drug pair in the treatment of lung cancer based on network pharmacology.Methods:Searching the TCMSP...Objective:To explore the molecular biological mechanism of the"salvia chinensis and radix ranunculi ternati"drug pair in the treatment of lung cancer based on network pharmacology.Methods:Searching the TCMSP database and previous literatures to screen the active compounds which resist lung cancer activity in salvia chinensis and radix ranunculi ternati.The candidate compounds were unified in the DrugBank to find the corresponding drug targets which were corrected to the standard gene names by the UniProt database.The Swiss Target Prediction platform was used to predict other targets.Searching GeneCards,OMIM and DrugBank to obtain genes related to lung cancer.After taking the intersection,the candidate gene target of drug pair in the treatment of lung cancer could be obtained.The"herbs-compounds-targets-disease"network was bulit with Cytoscape,and the PPI network was bulit on the STRING platform while the core network nodes were screened.GO and KEGG analysis on candidate genes was implemented through Metacape platform,and a"pathways-targets"network was bulit to further screen key genes.Results:A total of 16 active compounds in salvia chinensis,18 active compounds in radix ranunculi ternati,164 candidate targets,2443 GO functions and 170 KEGG pathways was obtained.Conclusion:The effective compounds of"salvia chinensis and radix ranunculi ternati"drug pair in the treatment of lung cancer are quercetin,ursolic acid,β-sitosterol and caffeic acid.The key targets are MAPK1,AKT1,PIK3R1,RAF1 and EGFR.GO functions mainly include cytokines,oxidative stress,plasma membrane transmission,protein kinase binding and activity,apoptosis.KEGG could directly regulate pathways in cancer,non-small cells lung cancer pathway and small cell lung cancer pathway.KEGG also involves EGFR tyrosine kinase inhibitor resistance,IL-17,TNF,PI3K-AKT signaling pathway and apoptosis.This study reveals the molecular biological mechanism of"salvia chinensis and radix ranunculi ternati"drug pair in the treatment of lung cancer.It is reasoned that its potential targets affect multiple signaling pathways and ultimately resist the proliferation,differentiation,invasion,metastasis and promote apoptosis of lung cancer cells.Evidence for further experimental study is provided by this study.展开更多
OBJECTIVE: To explore the material basis of the difference of efficacy of Dahuang(Radix Et Rhizoma Rhei Palmati)-Taoren(Semen Persicae)(DT) drugs with different proportions. METHODS: Samples of different ratios of Dah...OBJECTIVE: To explore the material basis of the difference of efficacy of Dahuang(Radix Et Rhizoma Rhei Palmati)-Taoren(Semen Persicae)(DT) drugs with different proportions. METHODS: Samples of different ratios of Dahuang(Radix et Rhizoma Rhei Palnati, DH) to Taoren(Semen Persicae, TR)(Group A 1∶1, B 2∶3, C 3∶2) were analyzed based on gas chromatography time-of-flight mass spectrometry untargeted metabolomics technique. RESULTS: A total of 240 primary metabolites were detected. Forty-one differential metabolites involved nine differential metabolic pathways, of which four were closely related to the efficacy of DT in the treatment of heat and blood stasis syndrome. These pathways included the biosynthesis of amino acid(phenylalanine tyrosine and tryptophan), flavonoids, unsaturated fatty acids, and the glycolysis/glycogenesis pathway. CONCLUSION: There are significant differences in the efficacy of different ratios of DT drugs, and their optimal ratio for the treatment of heat and blood stasis syndrome should be 1∶1.展开更多
The Chaihu herbal injection was the first herbal injection to be developed and used in China,which has been used in clinic for more than 70 years.This injection is widely used to treat fever caused by influenza or com...The Chaihu herbal injection was the first herbal injection to be developed and used in China,which has been used in clinic for more than 70 years.This injection is widely used to treat fever caused by influenza or common cold and malaria.However,there is an ongoing debate about the safety of the clinical use of Chaihu herbal injection in view of the large number of adverse drug reaction reports and literature in China.On May 29,2018,the China Food and Drug Administration issued a notice requiring to revise the instruction manual of Chaihu herbal injection,list"prohibit for children"under the taboo item,and add the warning"adverse reactions of this product include anaphylactic shock".The purpose of this review is to provide updated,comprehensive information on the pharmacology and adverse drug reaction of Chaihu herbal injection based on scientific literatures in the past few decades.展开更多
Objective To analyze the mechanism of action and compatibility of the active compounds of the traditional herb pair Bupleuri Radix(Chai Hu,CH,柴胡)-Paeoniae Radix Alba(Bai Shao,BS,白芍).Methods All chemical compounds ...Objective To analyze the mechanism of action and compatibility of the active compounds of the traditional herb pair Bupleuri Radix(Chai Hu,CH,柴胡)-Paeoniae Radix Alba(Bai Shao,BS,白芍).Methods All chemical compounds related to CH and BS were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),Traditional Chinese Medicine Integrated Database(TCMID),Bioinformatics Analysis Tool for Molecular mechANism of Traditional Chinese Medicine(Batman-TCM),Traditional Chinese Medicine Database@Taiwan(TCM Database@Taiwan),and the literature.Relevant compounds were screened for oral bioavailability(OB),drug-likeness(DL),and the Caco-2 cell model.The Uniprot,Genecard,and CTD databases were used to obtain information on potential targets and diseases of associated compounds.Based on this,Cytoscape 3.2.1 software,GO enrichment analysis,and KEGG pathway enrichment were used to analyze the potential mechanism of action and pathways of the CH-BS drug combination.Results A total of 23 active compounds of CH and BS were indentified after meeting specific criteria by network pharmacology,showing 79 predicted targets of active compounds.Among them,all targets were associated with 344 diseases,and the compounds in CH and BS were connected to 94 pathways and biological,such as calcium signaling pathway,neuroactive ligand-receptor interaction and TNF signaling pathway.Conclusions Our results preliminarily validated the main compounds in CH-BS herb pair interacted with multiple targets in different diseases,and the molecular mechanism of these compounds involves multiple pathways,thereby establishing a good foundation for further studies.展开更多
Background:In this study,we preliminarily investigated the mechanism of Yin-Chai-Xiao-Du decoction for the treatment of COVID-19 by the method of network pharmacology.Methods:The potential targets and pathways of Yin-...Background:In this study,we preliminarily investigated the mechanism of Yin-Chai-Xiao-Du decoction for the treatment of COVID-19 by the method of network pharmacology.Methods:The potential targets and pathways of Yin-Chai-Xiao-Du decoction for the treatment of COVID-19 were examined using network pharmacology;the ingredient and active targets of Yin-Chai-Xiao-Du decoction were collected from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform and PharmMapper databases;the COVID-19-related targets were obtained from the online Mendelian inheritance in man,GeneCards,and GeneMANIA databases;the STRING database and Cytoscape were used to build a protein-protein interaction network,and a Network Analyzer tool was used to perform topology analysis to screen for the key ingredients and targets;the ClueGO and KOBAS 3.0 databases were for the enrichment analysis of gene function(Gene Oncology)and gene pathway(Kyoto Encyclopedia of Genes and Genomes);the herb-ingredient-target-pathway network diagram was constructed by Cytoscape.Results:The core herbs screened by the network pharmacological analysis were Jinyinhua(Lonicerae japonicae flos),Lianqiao(Forsythia suspensa),Chaihu(Bupleuri radix),Huangqin(Scutellariae radix),Yinchen(Herba Artemisiae Scopariae),Guanghuoxiang(Pogostemonis herba),Roudoukou(Semen myristicae)and Qinghao(Artemisiae annuae herba).A total of 293 active ingredients were screened by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,and the key ingredients were quercetin,kaempferol,isorhamnetin,stigmasterol,beta-sitosterol,and luteolin.Yin-Chai-Xiao-Du decoction has 138 COVID-19-related targets,and the key targets were mitogen-activated protein kinase 3,interleukin-6,tumor necrosis factor,vascular endothelial growth factor A,and CC motif ligand 2.Kyoto Encyclopedia of Genes and Genomes analysis revealed 120 enriched gene pathways,and the key pathways were signaling by interleukins,immune system,cytokine signaling in the immune system,and the signaling pathways of interleukin-17,tumor necrosis factor,and relaxin.Conclusion:The core herbs of Yin-Chai-Xiao-Du decoction are Jinyinhua(Lonicerae japonicae flos),Lianqiao(Forsythia suspensa),Chaihu(Bupleuri radix),Huangqin(Scutellariae radix),Yinchen(Herba Artemisiae Scopariae),Guanghuoxiang(Pogostemonis herba),Roudoukou(Semen myristicae)and Qinghao(Artemisiae annuae herba).The key ingredients are quercetin,kaempferol,isorhamnetin,stigmasterol,and beta-sitosterol;the critical targets are luteolin,interleukin-6,mitogen-activated protein kinase 3,tumor necrosis factor,and CC motif ligand 2;and the core signaling pathways are those mediated by interleukin-17,tumor necrosis factor,and relaxin.展开更多
基金National Natural Science Foundation of China(No.1673961)Beijing Natural Science Foundation Project(No.7172186)Special Training Program for Outstanding Young Scientific and Technological Talents(innovation)of Chinese Academy of Traditional Chinese Medicine(No.ZZ13-YQ-028)。
文摘Objective:To explore the molecular biological mechanism of the"salvia chinensis and radix ranunculi ternati"drug pair in the treatment of lung cancer based on network pharmacology.Methods:Searching the TCMSP database and previous literatures to screen the active compounds which resist lung cancer activity in salvia chinensis and radix ranunculi ternati.The candidate compounds were unified in the DrugBank to find the corresponding drug targets which were corrected to the standard gene names by the UniProt database.The Swiss Target Prediction platform was used to predict other targets.Searching GeneCards,OMIM and DrugBank to obtain genes related to lung cancer.After taking the intersection,the candidate gene target of drug pair in the treatment of lung cancer could be obtained.The"herbs-compounds-targets-disease"network was bulit with Cytoscape,and the PPI network was bulit on the STRING platform while the core network nodes were screened.GO and KEGG analysis on candidate genes was implemented through Metacape platform,and a"pathways-targets"network was bulit to further screen key genes.Results:A total of 16 active compounds in salvia chinensis,18 active compounds in radix ranunculi ternati,164 candidate targets,2443 GO functions and 170 KEGG pathways was obtained.Conclusion:The effective compounds of"salvia chinensis and radix ranunculi ternati"drug pair in the treatment of lung cancer are quercetin,ursolic acid,β-sitosterol and caffeic acid.The key targets are MAPK1,AKT1,PIK3R1,RAF1 and EGFR.GO functions mainly include cytokines,oxidative stress,plasma membrane transmission,protein kinase binding and activity,apoptosis.KEGG could directly regulate pathways in cancer,non-small cells lung cancer pathway and small cell lung cancer pathway.KEGG also involves EGFR tyrosine kinase inhibitor resistance,IL-17,TNF,PI3K-AKT signaling pathway and apoptosis.This study reveals the molecular biological mechanism of"salvia chinensis and radix ranunculi ternati"drug pair in the treatment of lung cancer.It is reasoned that its potential targets affect multiple signaling pathways and ultimately resist the proliferation,differentiation,invasion,metastasis and promote apoptosis of lung cancer cells.Evidence for further experimental study is provided by this study.
基金National Major Natural Science:Study on the Dose-effect Relationship and Compatibility Mechanism of Core Medicine in Taohe Chengqi Decoction Prescription on "Removing Stasis And Dissipating Heat" of Taoren Rhubarb (No. 81973592)Project of the Administration of Traditional Chinese Medicine of Shaanxi Province:Study on the Compatibility of the Classic Prescription Taohe Chengqi Decoction "Expelling Stasis And Expelling Heat" Based on Drug Interaction (2021-GJ-JC004)Supported by Discipline Innovation Team Project on Quality Evaluation and Resource Development of "Qin Medicine",Shaanxi University of Chinese Medicine (2019-QN01)。
文摘OBJECTIVE: To explore the material basis of the difference of efficacy of Dahuang(Radix Et Rhizoma Rhei Palmati)-Taoren(Semen Persicae)(DT) drugs with different proportions. METHODS: Samples of different ratios of Dahuang(Radix et Rhizoma Rhei Palnati, DH) to Taoren(Semen Persicae, TR)(Group A 1∶1, B 2∶3, C 3∶2) were analyzed based on gas chromatography time-of-flight mass spectrometry untargeted metabolomics technique. RESULTS: A total of 240 primary metabolites were detected. Forty-one differential metabolites involved nine differential metabolic pathways, of which four were closely related to the efficacy of DT in the treatment of heat and blood stasis syndrome. These pathways included the biosynthesis of amino acid(phenylalanine tyrosine and tryptophan), flavonoids, unsaturated fatty acids, and the glycolysis/glycogenesis pathway. CONCLUSION: There are significant differences in the efficacy of different ratios of DT drugs, and their optimal ratio for the treatment of heat and blood stasis syndrome should be 1∶1.
文摘The Chaihu herbal injection was the first herbal injection to be developed and used in China,which has been used in clinic for more than 70 years.This injection is widely used to treat fever caused by influenza or common cold and malaria.However,there is an ongoing debate about the safety of the clinical use of Chaihu herbal injection in view of the large number of adverse drug reaction reports and literature in China.On May 29,2018,the China Food and Drug Administration issued a notice requiring to revise the instruction manual of Chaihu herbal injection,list"prohibit for children"under the taboo item,and add the warning"adverse reactions of this product include anaphylactic shock".The purpose of this review is to provide updated,comprehensive information on the pharmacology and adverse drug reaction of Chaihu herbal injection based on scientific literatures in the past few decades.
基金funding support from the the National Natural Science Foundation of China (No. 81573780)High-level Hospital Construction (No. 211010010120)
文摘Objective To analyze the mechanism of action and compatibility of the active compounds of the traditional herb pair Bupleuri Radix(Chai Hu,CH,柴胡)-Paeoniae Radix Alba(Bai Shao,BS,白芍).Methods All chemical compounds related to CH and BS were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),Traditional Chinese Medicine Integrated Database(TCMID),Bioinformatics Analysis Tool for Molecular mechANism of Traditional Chinese Medicine(Batman-TCM),Traditional Chinese Medicine Database@Taiwan(TCM Database@Taiwan),and the literature.Relevant compounds were screened for oral bioavailability(OB),drug-likeness(DL),and the Caco-2 cell model.The Uniprot,Genecard,and CTD databases were used to obtain information on potential targets and diseases of associated compounds.Based on this,Cytoscape 3.2.1 software,GO enrichment analysis,and KEGG pathway enrichment were used to analyze the potential mechanism of action and pathways of the CH-BS drug combination.Results A total of 23 active compounds of CH and BS were indentified after meeting specific criteria by network pharmacology,showing 79 predicted targets of active compounds.Among them,all targets were associated with 344 diseases,and the compounds in CH and BS were connected to 94 pathways and biological,such as calcium signaling pathway,neuroactive ligand-receptor interaction and TNF signaling pathway.Conclusions Our results preliminarily validated the main compounds in CH-BS herb pair interacted with multiple targets in different diseases,and the molecular mechanism of these compounds involves multiple pathways,thereby establishing a good foundation for further studies.
基金This study was supported by the National Key Research and Development Program(No.2018YFC1704800)the Chinese Medicine Standardization Project of State Administration of Traditional Chinese Medicine(No.SATCM-2015-BZ125).
文摘Background:In this study,we preliminarily investigated the mechanism of Yin-Chai-Xiao-Du decoction for the treatment of COVID-19 by the method of network pharmacology.Methods:The potential targets and pathways of Yin-Chai-Xiao-Du decoction for the treatment of COVID-19 were examined using network pharmacology;the ingredient and active targets of Yin-Chai-Xiao-Du decoction were collected from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform and PharmMapper databases;the COVID-19-related targets were obtained from the online Mendelian inheritance in man,GeneCards,and GeneMANIA databases;the STRING database and Cytoscape were used to build a protein-protein interaction network,and a Network Analyzer tool was used to perform topology analysis to screen for the key ingredients and targets;the ClueGO and KOBAS 3.0 databases were for the enrichment analysis of gene function(Gene Oncology)and gene pathway(Kyoto Encyclopedia of Genes and Genomes);the herb-ingredient-target-pathway network diagram was constructed by Cytoscape.Results:The core herbs screened by the network pharmacological analysis were Jinyinhua(Lonicerae japonicae flos),Lianqiao(Forsythia suspensa),Chaihu(Bupleuri radix),Huangqin(Scutellariae radix),Yinchen(Herba Artemisiae Scopariae),Guanghuoxiang(Pogostemonis herba),Roudoukou(Semen myristicae)and Qinghao(Artemisiae annuae herba).A total of 293 active ingredients were screened by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,and the key ingredients were quercetin,kaempferol,isorhamnetin,stigmasterol,beta-sitosterol,and luteolin.Yin-Chai-Xiao-Du decoction has 138 COVID-19-related targets,and the key targets were mitogen-activated protein kinase 3,interleukin-6,tumor necrosis factor,vascular endothelial growth factor A,and CC motif ligand 2.Kyoto Encyclopedia of Genes and Genomes analysis revealed 120 enriched gene pathways,and the key pathways were signaling by interleukins,immune system,cytokine signaling in the immune system,and the signaling pathways of interleukin-17,tumor necrosis factor,and relaxin.Conclusion:The core herbs of Yin-Chai-Xiao-Du decoction are Jinyinhua(Lonicerae japonicae flos),Lianqiao(Forsythia suspensa),Chaihu(Bupleuri radix),Huangqin(Scutellariae radix),Yinchen(Herba Artemisiae Scopariae),Guanghuoxiang(Pogostemonis herba),Roudoukou(Semen myristicae)and Qinghao(Artemisiae annuae herba).The key ingredients are quercetin,kaempferol,isorhamnetin,stigmasterol,and beta-sitosterol;the critical targets are luteolin,interleukin-6,mitogen-activated protein kinase 3,tumor necrosis factor,and CC motif ligand 2;and the core signaling pathways are those mediated by interleukin-17,tumor necrosis factor,and relaxin.
