Objective:To predict the key components and potential targets of Xiaoyao Powder in the treatment of irritable bowel syndrome(IBS)and explore its mechanism of action in the treatment of IBS.Methods:The active component...Objective:To predict the key components and potential targets of Xiaoyao Powder in the treatment of irritable bowel syndrome(IBS)and explore its mechanism of action in the treatment of IBS.Methods:The active components and related targets of all compounds of Xiaoyao Powder were obtained by systematic Pharmacological Analysis platform of traditional Chinese Medicine(TCMSP).The related genes of IBS were collected by Genecards and TTD.The network model of"Xiaoyao powder-compound-target-IBS"was established by Cytoscape software.STRING and Metascape platforms were used to analyze drug-disease target protein interactions and conduct network construction and module analysis.Gene Ontology(GO)function enrichment and Kyoto Encyclopedia of genes and genomes(KEGG)pathway enrichment analysis were performed on the targets.Results:In the end,149 active ingredients,267 potential targets were obtained in Xiaoyao Powder and 1751 IBS-related targets were obtained from the platforms.One hundred and sixty-five related targets were involved in the treatment of IBS by Xiaoyao Powder,among which the key targets were MMP9,VEGFA,EGF,and IL-1B,TNF,IL-6.In the GO function enrichment analysis,1976 entries were obtained for biological processes,210 entries for molecular functions,and 122 entries for cellular components;KEGG pathway enrichment analysis was performed to obtain PI3K-Akt pathway,AGE-RAGE signaling pathway,Calcium signaling pathway.Conclusion:Xiaoyao Powder may treat IBS by strengthening intestinal barrier function,reducing visceral sensitivity,inhibiting oxidative stress and inflammation.展开更多
Objective:To systematically investigate the main active components,targets,target-related diseases and action mechanism of Yiyi Fuzi Baijiang powder(YFBP)of Zhang Zhongjing,a Chinese physician of Eastern Han Dynasty o...Objective:To systematically investigate the main active components,targets,target-related diseases and action mechanism of Yiyi Fuzi Baijiang powder(YFBP)of Zhang Zhongjing,a Chinese physician of Eastern Han Dynasty of China(3 century A.D.)using the method of network pharmacology.Methods:The active components of YFBP were identified from several databases(TCMSP,TCM Database@Taiwan and TCMID).The potential active compounds were screened based on oral bioavailability and drug-like index in the TCMSP database.DrugBank,TCMSP,and TCMID database searches were performed to predict target-related diseases.Biological functions and KEGG pathway outcomes of all potential targets were analyzed using the DAVID database.Results:A total of 24 active compounds of YFBP,133 related targets,and 305 potential related diseases were obtained.These results showed that YFBP may treat inflammation,pain,and cancer.The functional enrichment analysis indicated that YFBP probably exerts its therapeutic effects by regulating neuroactive ligand-receptor interactions,the TNF signaling pathway,and the PI3K-Akt signaling pathway.Conclusion:This study provides preliminary confirmation that YFBP has the great potentials to treat inflammation,pain,and tumors,which supports Zhang Zhongjing’s original intention to treat intestinal carbuncle with ancient prescription YFBP,but also provides a scientific basis for its treatment in the malignant tumors.展开更多
Objective To predict the main active ingredients,potential targets and molecular mechanisms of Yuan Zhi powder in treatment of dementia by using network pharmacology.Methods A database of chemical constituents of Yuan...Objective To predict the main active ingredients,potential targets and molecular mechanisms of Yuan Zhi powder in treatment of dementia by using network pharmacology.Methods A database of chemical constituents of Yuan Zhi powder was constructed by using databases and literatures.Potential targets were predicted by reverse molecular docking,and then a component-target network was constructed.The target network of Alzheimer's disease(AD)was mapped and analyzed to obtain the“active ingredient-AD target”network.The key targets were screened through network analysis.Finally,the rationality of the prediction was analyzed by comparing with the target reported in the literatures.Results There were180chemical constituents acting on the AD target,and the targets included three key targets(cyclooxygenase-2,muscarinic acetylcholine receptor M1,and muscarinic acetylcholine receptor M2)and an important target(acetylcholine esterase).Alzheimer's disease may be treated by regulating the activity of acetylcholine receptors and the binding toβ-amyloid protein,and its biological process may be concentrated in the acetylcholine receptor signal pathway,negative regulation of synaptic transmission and so on.Conclusion The fact that Yuan Zhi powder can treat AD is consistent with the characteristics of multi-components-multitargets-multiple pathways of traditional Chinese medicine.The important targets obtained from network analysis have a large proportion in literature research,so network analysis have some rationality.展开更多
Aim YiQiFuMai Powder Injection is a well-known traditional Chinese medicine formula that has been used extensively in clinical treatment of cardio-cerebral ischemic diseases in China. However, the mechanisms under-lyi...Aim YiQiFuMai Powder Injection is a well-known traditional Chinese medicine formula that has been used extensively in clinical treatment of cardio-cerebral ischemic diseases in China. However, the mechanisms under-lying its clinical efficacy remain unknown. In this study, a network pharmacology approach was employed to identify the YiQiFuMai Powder Injection's potential pathways and targets against cardio-cerebral ischemia. The target-path- way interaction network clustered the signaling pathways based on high degree nodes of the drug-target network. The potential protein targets presented in the highly scored clustered pathways were the key network hubs and concentrated on one or limited functional signaling pathways amenable to experimental verification. Twelve main functional annota- tion clusters and main signaling pathways for YiQiFuMai Powder Injection were established by Biocarta analysis, in- eluding the NF-KB signaling pathway, the MAPKinase signaling pathway and the mTOR-signaling pathway and so on. YiQiFuMai Powder Injection is hypothesized to target multiple proteins with a high degree and betweenness of net- work. In addition, the most related pathways were also confirmed in tumor necrosis factor-alpha (TNF-oL) induced human vascular endothelial cell line EA. hy926 by Western blot. This study elucidates the systematic network and pathway analysis of multi-targets in YiQiFuMai Powder Injection. The results provide the possible mechanisms for its mode of action against cardio-cerebral ischemic diseases and may also reveal new clues for its potential application in the inflammatory diseases or tumors.展开更多
In order to clarify the targets of Xiaoyao Wan in the treatment of depression and anxiety,the pharmacological database of traditional Chinese medicine system and the analysis platform(TCMSP)were used to search the che...In order to clarify the targets of Xiaoyao Wan in the treatment of depression and anxiety,the pharmacological database of traditional Chinese medicine system and the analysis platform(TCMSP)were used to search the chemical components and potential targets of Xiaoyao Wan.The databases of Malacards and Genecards were used to mine the targets related to depression and anxiety.With the help of Cytoscape3.2.1 software,the“Xiaoyao Wan-targets-diseases”network is constructed.The PPI network is constructed through String database.Common targets are enriched by cluster Profiler software package in R language.161 active components of Xiaoyao Wan were screened,and 247 targets related to Xiaoyao Wan were predicted(excluding repetitive targets).The related targets of depression and anxiety were 379,337 respectively.Through the intersection of Venny diagram,24 targets of Xiaoyao Wan,depression and anxiety were obtained.24 key targets were screened out by constructing the interaction network of Xiaoyao Wan,depression and anxiety.Pathway enrichment analysis showed that Xiaoyao Wan mainly acts on key targets involves D(2)dopamine receptor(DRD2),Interleukin-6(IL6),5-hydroxytryptamine receptor 2A(HTR2A),Interleukin-1 beta(IL1B),5-hydroxytryptamine receptor 3A(HTR3A),Sodium-dependent dopamine transporter(SLC6A3),D(1A)dopamine receptor(DRD1),Interleukin-10(IL10),Sodium-dependent noradrenaline transporterin(SLC6A2)and other key targets in the treatment of depression and anxiety,and participates in important pathway processes such as Serotonergic synapse,Dopaminergic synapse,Neuroactive ligand-receptor interaction and regulation of neurotransmitter levels.It is speculated that Xiaoyao Wan plays a role in the treatment of depression and anxiety by affecting neurotransmitters 5-HT and DA,participating in hypothalamic-pituitary-adrenal(HPA)and interfering in the process of inflammation.展开更多
Objective:Based on the technology and method of network pharmacology,to explore the active components and specific mechanism of Simiao powder in the treatment of synovitis.Methods:by using tcmsp database,the potential...Objective:Based on the technology and method of network pharmacology,to explore the active components and specific mechanism of Simiao powder in the treatment of synovitis.Methods:by using tcmsp database,the potential active components and related target proteins of Simiao powder were screened.Genecards and digenet database were used to predict the target of synovitis.UniProt database was used to query the corresponding gene names.The compound synovitis target network and protein of Simiao powder were constructed by using Cytoscape and string software In R language,bio conductor data package was used to analyze the enrichment of go biological function and KEGG pathway,and the effective components and targets of Simiao powder in the treatment of synovitis were obtained.Results:64 key active components of Simiao powder were screened out from tcmsp database,71 of them were involved in the interaction of main chemical components of Simiao powder-chemical components and synovitis treatment target-synovitis.95 PPI core genes were obtained,and 90 go biological enrichment processes were obtained by go enrichment analysis.The results of network pharmacology indicate that Simiaosan can regulate 32 signaling pathways in the treatment of synovitis,including IL-17 signaling pathway,TNF signaling pathway,T cell receptor signaling pathway and toll like receptor signaling pathway.Conclusion:the treatment of synovitis with Simiao powder is a complex process of multi-component,multi-target and multi-channel,which is related to the coordinated regulation of multiple targets and signal pathways.展开更多
Objective:Explore the possible intervention mechanism of Shenling Baizhu Powder on IBS-D from network data through network pharmacology and molecular docking simulation technology.Methods:Establish a complete regulato...Objective:Explore the possible intervention mechanism of Shenling Baizhu Powder on IBS-D from network data through network pharmacology and molecular docking simulation technology.Methods:Establish a complete regulatory network of Shenling Baizhu powder on IBS-D after obtaining the active components and drug targets of Shenling Baizhu Powder on the TCMSP platform and obtaining the disease targets of IBS-D from GeneCards and OMIM databases.Then screen out the potential best target of Shenling Baizhu Powder in IBS-D intervention network combining with the PPI network constructed in the STRING database,and screen the potential core of compounds through the molecular docking simulation and comparison with pivecurium bromide.After that,the related gene ontology functions and pathways of Shenling Baizhu Powder in treating IBS-D will be obtained though gene ontology(GO)enrichment analysis through DAVID database and Kyoto encyclo-pedia of genes and genomes(KEGG)pathways enrichment analysis through Bioconductor database.Results:The number of IBS-D disease-related targets was 2,724.And there were 184 active compounds in Shenling Baizhusan,among which 175 could act on IBS-D.After screening,four potential best targets of PTGS2,ESR1,AR and MAPK14 were obtained,and four core compounds of quercetin,luteolin,kaempferol and isorhamnetin were obtained by molecular docking simulation.GO enrichment analysis results showed that there were 92 biological processes,18 cellular components and 21 molecular functions associated with shenling Baizhu Powder intervention IBS-D process.The results of KEGG pathway enrichment analysis showed that shenling Baizhu Powder had 172 pathways involved in the intervention of IBS-D.Conclusion:The intervention effect of Shenling Baizhu powder on IBS-D was better than pivecurium bromide in terms of the number of targets and the ease of binding to the targets.Its intervention process of IBS-D may be closely related to inflammation,cancer,endocrine disorders and other related reactions and pathways,among which quercetin,luteolin,kaempferol and isorrine are the most potential core compounds in the intervention network,and the four target proteins of PTGS2,ESR1,AR and MAPK14 are the potential best target options in the intervention network.展开更多
Objective:The mechanism of Yupingfeng Powder in the treatment of non-small cell lung cancer was analyzed by network pharmacology and molecular docking method.Methods:Search the related literature and TCMSP database,qu...Objective:The mechanism of Yupingfeng Powder in the treatment of non-small cell lung cancer was analyzed by network pharmacology and molecular docking method.Methods:Search the related literature and TCMSP database,query the chemical composition and action target of Yupingfeng powder,query the disease database of Genecards,OMIM,DisGeNET,Drugbank,etc.,use"non-small cell lung cancer"as the keyword to search the disease-related target,select the intersection target with Yupingfeng powder as the research target,and use Cytoscape 3.7.2 software to construct the active component-target network map.The protein-protein interaction network map was constructed by using STRING database,and the treatment core targets were further screened by topological parameters,and GO analysis and KEGG signal pathway enrichment analysis were carried out.Finally,molecular docking was verified.Results:37 active components of Yupingfeng Powder were screened,including 146 common targets and 44 core targets.GO analysis and KEGG analysis show that the core target participates in many biological processes such as angiogenesis and cell proliferation,and acts on a variety of signal pathways such as AGE-RAGE,IL-17,TNF,MAPK and so on.Molecular docking shows that the core compound has good docking activity with the target.Conclusion:Network pharmacological analysis shows that Yupingfeng powder in the treatment of non-small cell lung cancer involves multi-target and multi-pathway mechanism,and the drug and target have good docking activity,which can provide theoretical basis for follow-up experimental research.展开更多
Background:To clarify the effectiveness and potential mechanism of Jiawei Buhuanjin Zhengqi powder(JBZP)for the prevention and treatment of coronavirus disease 2019(COVID-19)in children based on network pharmacology.M...Background:To clarify the effectiveness and potential mechanism of Jiawei Buhuanjin Zhengqi powder(JBZP)for the prevention and treatment of coronavirus disease 2019(COVID-19)in children based on network pharmacology.Methods:The active ingredients and action targets of Jiawei Buhuanjin Zhengqi powder formulas were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.Genes related to COVID-19 were found on the GeneCards database.The active ingredients-target network map was constructed by Cytoscape.The action mechanisms of these genes were predicted using a Gene Ontology-based functional enrichment and annotation tool and the Kyoto Encyclopedia of Genes and Genomes.Results:Through Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,187 eligible compounds and 12,921 targets of Jiawei Buhuanjin Zhengqi powder were identified.A total of 257 genes related to Jiawei Buhuanjin Zhengqi powder and 401 genes related to COVID-19 in children were screened and 59 common target genes were obtained.The network analysis showed that the predicted seven main active components were Quercetin,Luteolin,Wogonin,Kaempferol,Irisolidone,Nobiletin and Licochalcone a.Gene Ontology and the Kyoto Encyclopedia of Genes and Genomes enrichment analysis revealed that key targets were associated with regulating immunological function or glycosylation through the biological processes.Conclusion:The potential mechanisms of Jiawei Buhuanjin Zhengqi powder on COVID-19 in children might be related to anti-inflammatory,virus infection,and immunomodulatory signaling pathway.展开更多
Objective:To explore the mechanism of Yiyi Fuzi Baijiang p owder in treatment of ulcerative colitis in Coix Lacryma-jobi based on network pharmacology and molecular docking technology.Methods:Search for Yiyi Fuzi Baij...Objective:To explore the mechanism of Yiyi Fuzi Baijiang p owder in treatment of ulcerative colitis in Coix Lacryma-jobi based on network pharmacology and molecular docking technology.Methods:Search for Yiyi Fuzi Baijiang powder’s active ingredient by traditional Chinese medicine database and analysis platform system pharmacology,Genecards,Uniprot database and Cytoscape software were used to construct the active component-ulcerative colitis disease target network,and gene ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis was performed,Autodock Vina was used for molecular docking verification.Results:Quercetin,luteolin,kaempferol,chrysin,macroanol B,β-sitosterol,stigmasterol,deltoan and rhizoctonine may play a role in the treatment of ulcerative colitis.KEGG pathway enrichment analysis showed that Yiyi Fuzi Baijiang p owder mainly involved i nterleukin-17 signaling pathway and cancer pathway,among which the key targets were PTGS2,HSP90AA1 and CASP3 and had a good binding activity with 10 main active components.Conclusion:The treatment of ulcerative colitis by Yiyi Fuzi Baijiang p owder may be mainly through quercetin,luteolin,macroanol B,β-sitosterol and other chemical components involved in cancer pathway,i nterleukin-17 signaling pathway acting on PTGS2,HSP90AA1,CASP3 and other disease targets in response to inorganic substances,response to cytokines and other biological processes f actor receptor binding and other molecular functions to achieve the purpose of treating u lcerative colitis.展开更多
The research of modern pharmacology displays that main material basis of Danggui Shaoyao Powder exerting efficacy includes ligustilide,paeoniflorin,poria acid,ferulic acid,ligustrazine and so on,and its efficacy is ma...The research of modern pharmacology displays that main material basis of Danggui Shaoyao Powder exerting efficacy includes ligustilide,paeoniflorin,poria acid,ferulic acid,ligustrazine and so on,and its efficacy is mainly realized by regulating neural receptor-ligand interaction,cytokine release,and TNF-αinflammatory pathway.Systematic study of metabonomics,serum pharmacochemistry and network pharmacology of Danggui Shaoyao Powder sufficiently clarifies its potential pharmacodynamic mechanism,and it could provide scientific theoretical basis for its clinical application.In this paper,by systemically analyzing material basis of Danggui Shaoyao Powder,and exploring its complex pharmacological mechanism and clinical application in vivo,it could comprehensively understand the clinical value of Danggui Shaoyao Powder,so as to provide beneficial reference for further development of the material basis,quality control and classical prescription of Danggui Shaoyao Powder.展开更多
Chest arthralgia refers to a disease characterized by chest pain, even chest pain, shortness of breath and inability to lie down. The disease is recurrent in clinical, causing great harm to the life of patients. In th...Chest arthralgia refers to a disease characterized by chest pain, even chest pain, shortness of breath and inability to lie down. The disease is recurrent in clinical, causing great harm to the life of patients. In this paper, Professor Li Ji based on Xiaoyao Powder in the treatment of chest arthralgia two cases were analyzed, showing Professor Li Ji clinical treatment of chest arthralgia ideas and methods, in order to fill a corner for clinical treatment of chest arthralgia.展开更多
Objective:To study the potential therapeutic effect of Yigan Powder on Alzheimer’s disease(AD)comorbid Depressive Disorder with Network Pharmacology.Methods:The active ingredients of Yigan Powder were screened from T...Objective:To study the potential therapeutic effect of Yigan Powder on Alzheimer’s disease(AD)comorbid Depressive Disorder with Network Pharmacology.Methods:The active ingredients of Yigan Powder were screened from Traditional Chinese Medicine Systems Pharmacology database and analysis platform(TCMSP)by ADME parameters,targets are predicted by Swiss Target Prediction database,disease targets are downloaded from GeneCards,OMIM and PharGKB database.Using R to run GO terms enrichment and KEGG pathway enrichment analysis.Protein interaction data is downloaded from the String database.Cytoscape software is used to build network.AutoDock Vina and PyMOL software are used for molecular docking.Results:There are 125 active ingredients in Yigan Powder with 953 predicted targets,85 of predicted targets are related to Alzheimer's Disease comorbid Depressive Disorder,shows highly enriched signaling pathways and biological processes.PPI network shows APP,MAPK1 and STAT3 may be important potential treatment of Alzheimer's Disease comorbid Depressive Disorder.The results of AutoDock Vina docking showed that the active ingredients of Yigan Powder had good binding activity with important receptors.Conclusion:Yigan Powder shows effect on neurotransmitter metabolism,synaptic transmission,neuroinflammation and other aspects in the treatment of Alzheimer's Disease comorbid Depressive Disorder.展开更多
Background:This paper investigates the anti-tumor mechanism of action of Poria cocos on the basis of network pharmacology.Method:In this paper,we screen the potential active ingredients of Poria cocos by TCMSP and obt...Background:This paper investigates the anti-tumor mechanism of action of Poria cocos on the basis of network pharmacology.Method:In this paper,we screen the potential active ingredients of Poria cocos by TCMSP and obtain their corresponding targets with SwissTargetPrediction.The GeneCards and OMIM databases are used to screen the relevant pathogenic candidate targets in various tumor disease processes.Furthermore,we obtain Poria cocos-tumor common targets by taking the intersection of Poria cocos potential targets and candidate target groups.Subsequently,the protein-protein interaction network(PPI)of common target genes is mapped based on the STRING database,and the"drug-active component-target gene-disease"network is constructed with the help of Cytoscape3.7.2.Therefore,the core target genes are obtained.Finally,GO and pathway enrichment analysis of the core target genes are performed by Metascape and DAVID.Results:38 common targets and 7 core genes(ESR1,MAPK3,MAPK8,MTOR,PIK3CA,JAK2,and IL6)in Poria cocos-tumors are found.They play an anti-tumor role by regulating various classical pathways such as PI3K-Akt signaling pathway,mTOR signaling pathway,Prolactin signaling pathway,ErbB signaling pathway,Choline metabolism in cancer.Conclusion:The research reveals the effective anti-tumor function of Poria as a multi-component,multi-target and multi-pathway herbal medicine.展开更多
Danzhi Xiaoyao powder was first introduced by Xue Ji,a Ming Dynasty physician,in the“Summary of Internal Medicine.”It is primarily used for treating the syndrome of liver depression transforming into heat and is wid...Danzhi Xiaoyao powder was first introduced by Xue Ji,a Ming Dynasty physician,in the“Summary of Internal Medicine.”It is primarily used for treating the syndrome of liver depression transforming into heat and is widely used in the treatment of dermatology,internal medicine,gynecology,and other multi-system diseases.This medical prescription is aptly dispensed,its detoxification effect is strong,and it is a representative medical prescription for soothing the liver,strengthening the spleen and stomach,as well as eliminating heat stagnation.Chief Physician Wang Defen inherited the academic experience of the fifth batch of nationally known Chinese medicine experts,under the guidance of Professor Ji Haiwang,a notable Chinese medicine practitioner in Shaanxi Province and Professor Shi Bingyin,a renowned endocrinologist.Through follow-up studies,the various methods and empirical prescriptions of Danzhi Xiaoyao powder applied by Chief Physician Wang Defen in the treatment of common clinical diseases are summarized.They have been proven to have conclusive efficacy,thus providing guidance and reference for the dialectical treatment using traditional Chinese medicine.展开更多
Traditional Chinese medicine(TCM)has unique advantages in preventing and treating depression based on holistic concepts and syndrome differentiation and treatment.Liver depression and spleen deficiency are the main sy...Traditional Chinese medicine(TCM)has unique advantages in preventing and treating depression based on holistic concepts and syndrome differentiation and treatment.Liver depression and spleen deficiency are the main syndrome of depression.Danzhi Xiaoyao powder has the efficacy of soothing the liver and relieving depression,nourishing blood,and strengthening spleen.Present studies have proven that it has antidepressant efficacy for the syndrome of liver depression and spleen deficiency.The basic research on pharmacodynamic substances has found that the main active ingredients of Danzhi Xiaoyao powder in the treatment of depression include bupleurum saponin,paeonol,gardenoside,angelica polysaccharide,sulfate polysaccharide,paeoniflorin,albiflorin,atractylone,etc.In clinical practice,Danzhi Xiaoyao powder is often modified to make it more suitable according to the characteristics of pathogenesis and changes in the disease condition.Our research group has found that“brain and spirit failure and liver failing to disperse”are the main pathogenesis of depression.Based on the theory of“liver–brain cotreatment,”the treatment principle of“dispersing the liver and relieving depression,strengthening brain and benefiting intelligence”was put forward.On the basis of Danzhi Xiaoyao powder,Shichangpu(Acori Tatarinowii Rhizoma)was added to enlighten the mind and Yuanzhi(Polygalae Radix)to calm the mind and benefit intelligence.The modified Danzhi Xiaoyao powder was formulated,and its clinical effects on depression were remarkable.Animal experiments also confirmed that modified Danzhi Xiaoyao powder can significantly improve the depression-like behavior of depression model rats and the mechanism may be related to the regulation of the hypothalamic–pituitary–adrenal axis,the increase of the content of 5-hydroxytryptamine,and norepinephrine,which provides a reference for the further promotion of the clinical application of modified Danzhi Xiaoyao powder in the treatment of depression.展开更多
文摘Objective:To predict the key components and potential targets of Xiaoyao Powder in the treatment of irritable bowel syndrome(IBS)and explore its mechanism of action in the treatment of IBS.Methods:The active components and related targets of all compounds of Xiaoyao Powder were obtained by systematic Pharmacological Analysis platform of traditional Chinese Medicine(TCMSP).The related genes of IBS were collected by Genecards and TTD.The network model of"Xiaoyao powder-compound-target-IBS"was established by Cytoscape software.STRING and Metascape platforms were used to analyze drug-disease target protein interactions and conduct network construction and module analysis.Gene Ontology(GO)function enrichment and Kyoto Encyclopedia of genes and genomes(KEGG)pathway enrichment analysis were performed on the targets.Results:In the end,149 active ingredients,267 potential targets were obtained in Xiaoyao Powder and 1751 IBS-related targets were obtained from the platforms.One hundred and sixty-five related targets were involved in the treatment of IBS by Xiaoyao Powder,among which the key targets were MMP9,VEGFA,EGF,and IL-1B,TNF,IL-6.In the GO function enrichment analysis,1976 entries were obtained for biological processes,210 entries for molecular functions,and 122 entries for cellular components;KEGG pathway enrichment analysis was performed to obtain PI3K-Akt pathway,AGE-RAGE signaling pathway,Calcium signaling pathway.Conclusion:Xiaoyao Powder may treat IBS by strengthening intestinal barrier function,reducing visceral sensitivity,inhibiting oxidative stress and inflammation.
基金This research is supported by National Natural Science Foundation of China(81603434),Shanghai Natural Science Foundation Project(17ZR1438800)and Shanghai Health Planning Commission Project(ZY3-RCPY-1-1001,zybz-2017029).
文摘Objective:To systematically investigate the main active components,targets,target-related diseases and action mechanism of Yiyi Fuzi Baijiang powder(YFBP)of Zhang Zhongjing,a Chinese physician of Eastern Han Dynasty of China(3 century A.D.)using the method of network pharmacology.Methods:The active components of YFBP were identified from several databases(TCMSP,TCM Database@Taiwan and TCMID).The potential active compounds were screened based on oral bioavailability and drug-like index in the TCMSP database.DrugBank,TCMSP,and TCMID database searches were performed to predict target-related diseases.Biological functions and KEGG pathway outcomes of all potential targets were analyzed using the DAVID database.Results:A total of 24 active compounds of YFBP,133 related targets,and 305 potential related diseases were obtained.These results showed that YFBP may treat inflammation,pain,and cancer.The functional enrichment analysis indicated that YFBP probably exerts its therapeutic effects by regulating neuroactive ligand-receptor interactions,the TNF signaling pathway,and the PI3K-Akt signaling pathway.Conclusion:This study provides preliminary confirmation that YFBP has the great potentials to treat inflammation,pain,and tumors,which supports Zhang Zhongjing’s original intention to treat intestinal carbuncle with ancient prescription YFBP,but also provides a scientific basis for its treatment in the malignant tumors.
基金funding support from the Major new drug creation project (2017ZX09101002-002-008)National Natural Science Foundation of China (81403171)Autonomous Program of China Academy of Chinese Medical Sciences (QZPT001 and 2014065)
文摘Objective To predict the main active ingredients,potential targets and molecular mechanisms of Yuan Zhi powder in treatment of dementia by using network pharmacology.Methods A database of chemical constituents of Yuan Zhi powder was constructed by using databases and literatures.Potential targets were predicted by reverse molecular docking,and then a component-target network was constructed.The target network of Alzheimer's disease(AD)was mapped and analyzed to obtain the“active ingredient-AD target”network.The key targets were screened through network analysis.Finally,the rationality of the prediction was analyzed by comparing with the target reported in the literatures.Results There were180chemical constituents acting on the AD target,and the targets included three key targets(cyclooxygenase-2,muscarinic acetylcholine receptor M1,and muscarinic acetylcholine receptor M2)and an important target(acetylcholine esterase).Alzheimer's disease may be treated by regulating the activity of acetylcholine receptors and the binding toβ-amyloid protein,and its biological process may be concentrated in the acetylcholine receptor signal pathway,negative regulation of synaptic transmission and so on.Conclusion The fact that Yuan Zhi powder can treat AD is consistent with the characteristics of multi-components-multitargets-multiple pathways of traditional Chinese medicine.The important targets obtained from network analysis have a large proportion in literature research,so network analysis have some rationality.
文摘Aim YiQiFuMai Powder Injection is a well-known traditional Chinese medicine formula that has been used extensively in clinical treatment of cardio-cerebral ischemic diseases in China. However, the mechanisms under-lying its clinical efficacy remain unknown. In this study, a network pharmacology approach was employed to identify the YiQiFuMai Powder Injection's potential pathways and targets against cardio-cerebral ischemia. The target-path- way interaction network clustered the signaling pathways based on high degree nodes of the drug-target network. The potential protein targets presented in the highly scored clustered pathways were the key network hubs and concentrated on one or limited functional signaling pathways amenable to experimental verification. Twelve main functional annota- tion clusters and main signaling pathways for YiQiFuMai Powder Injection were established by Biocarta analysis, in- eluding the NF-KB signaling pathway, the MAPKinase signaling pathway and the mTOR-signaling pathway and so on. YiQiFuMai Powder Injection is hypothesized to target multiple proteins with a high degree and betweenness of net- work. In addition, the most related pathways were also confirmed in tumor necrosis factor-alpha (TNF-oL) induced human vascular endothelial cell line EA. hy926 by Western blot. This study elucidates the systematic network and pathway analysis of multi-targets in YiQiFuMai Powder Injection. The results provide the possible mechanisms for its mode of action against cardio-cerebral ischemic diseases and may also reveal new clues for its potential application in the inflammatory diseases or tumors.
基金Key discipline project of traditional Chinese medicine pharmaceutical engineering of Shanxi provincial administration of traditional Chinese medicine(2017)Discipline innovation team project of Shanxi university of Chinese medicine(No.2019-YL11)。
文摘In order to clarify the targets of Xiaoyao Wan in the treatment of depression and anxiety,the pharmacological database of traditional Chinese medicine system and the analysis platform(TCMSP)were used to search the chemical components and potential targets of Xiaoyao Wan.The databases of Malacards and Genecards were used to mine the targets related to depression and anxiety.With the help of Cytoscape3.2.1 software,the“Xiaoyao Wan-targets-diseases”network is constructed.The PPI network is constructed through String database.Common targets are enriched by cluster Profiler software package in R language.161 active components of Xiaoyao Wan were screened,and 247 targets related to Xiaoyao Wan were predicted(excluding repetitive targets).The related targets of depression and anxiety were 379,337 respectively.Through the intersection of Venny diagram,24 targets of Xiaoyao Wan,depression and anxiety were obtained.24 key targets were screened out by constructing the interaction network of Xiaoyao Wan,depression and anxiety.Pathway enrichment analysis showed that Xiaoyao Wan mainly acts on key targets involves D(2)dopamine receptor(DRD2),Interleukin-6(IL6),5-hydroxytryptamine receptor 2A(HTR2A),Interleukin-1 beta(IL1B),5-hydroxytryptamine receptor 3A(HTR3A),Sodium-dependent dopamine transporter(SLC6A3),D(1A)dopamine receptor(DRD1),Interleukin-10(IL10),Sodium-dependent noradrenaline transporterin(SLC6A2)and other key targets in the treatment of depression and anxiety,and participates in important pathway processes such as Serotonergic synapse,Dopaminergic synapse,Neuroactive ligand-receptor interaction and regulation of neurotransmitter levels.It is speculated that Xiaoyao Wan plays a role in the treatment of depression and anxiety by affecting neurotransmitters 5-HT and DA,participating in hypothalamic-pituitary-adrenal(HPA)and interfering in the process of inflammation.
基金Liaoning Province TCM rehabilitation discipline construction project(No.10010239a00175)。
文摘Objective:Based on the technology and method of network pharmacology,to explore the active components and specific mechanism of Simiao powder in the treatment of synovitis.Methods:by using tcmsp database,the potential active components and related target proteins of Simiao powder were screened.Genecards and digenet database were used to predict the target of synovitis.UniProt database was used to query the corresponding gene names.The compound synovitis target network and protein of Simiao powder were constructed by using Cytoscape and string software In R language,bio conductor data package was used to analyze the enrichment of go biological function and KEGG pathway,and the effective components and targets of Simiao powder in the treatment of synovitis were obtained.Results:64 key active components of Simiao powder were screened out from tcmsp database,71 of them were involved in the interaction of main chemical components of Simiao powder-chemical components and synovitis treatment target-synovitis.95 PPI core genes were obtained,and 90 go biological enrichment processes were obtained by go enrichment analysis.The results of network pharmacology indicate that Simiaosan can regulate 32 signaling pathways in the treatment of synovitis,including IL-17 signaling pathway,TNF signaling pathway,T cell receptor signaling pathway and toll like receptor signaling pathway.Conclusion:the treatment of synovitis with Simiao powder is a complex process of multi-component,multi-target and multi-channel,which is related to the coordinated regulation of multiple targets and signal pathways.
基金National Natural Science Foundation of China(No.81460724)Guangxi Natural Science Foundation of China(No.2020GXNSFAA259060)National Traditional Chinese Medicine Qihuang Youcai Project(No.J20184832009)。
文摘Objective:Explore the possible intervention mechanism of Shenling Baizhu Powder on IBS-D from network data through network pharmacology and molecular docking simulation technology.Methods:Establish a complete regulatory network of Shenling Baizhu powder on IBS-D after obtaining the active components and drug targets of Shenling Baizhu Powder on the TCMSP platform and obtaining the disease targets of IBS-D from GeneCards and OMIM databases.Then screen out the potential best target of Shenling Baizhu Powder in IBS-D intervention network combining with the PPI network constructed in the STRING database,and screen the potential core of compounds through the molecular docking simulation and comparison with pivecurium bromide.After that,the related gene ontology functions and pathways of Shenling Baizhu Powder in treating IBS-D will be obtained though gene ontology(GO)enrichment analysis through DAVID database and Kyoto encyclo-pedia of genes and genomes(KEGG)pathways enrichment analysis through Bioconductor database.Results:The number of IBS-D disease-related targets was 2,724.And there were 184 active compounds in Shenling Baizhusan,among which 175 could act on IBS-D.After screening,four potential best targets of PTGS2,ESR1,AR and MAPK14 were obtained,and four core compounds of quercetin,luteolin,kaempferol and isorhamnetin were obtained by molecular docking simulation.GO enrichment analysis results showed that there were 92 biological processes,18 cellular components and 21 molecular functions associated with shenling Baizhu Powder intervention IBS-D process.The results of KEGG pathway enrichment analysis showed that shenling Baizhu Powder had 172 pathways involved in the intervention of IBS-D.Conclusion:The intervention effect of Shenling Baizhu powder on IBS-D was better than pivecurium bromide in terms of the number of targets and the ease of binding to the targets.Its intervention process of IBS-D may be closely related to inflammation,cancer,endocrine disorders and other related reactions and pathways,among which quercetin,luteolin,kaempferol and isorrine are the most potential core compounds in the intervention network,and the four target proteins of PTGS2,ESR1,AR and MAPK14 are the potential best target options in the intervention network.
基金Priority Theme Setting of Traditional Chinese Medicine for Malignant Tumor and Implementation Scheme Design of Evidence-based Research(No.K-858)Beijing Municipal Commission of Science and Technology(No.D161100005116001)。
文摘Objective:The mechanism of Yupingfeng Powder in the treatment of non-small cell lung cancer was analyzed by network pharmacology and molecular docking method.Methods:Search the related literature and TCMSP database,query the chemical composition and action target of Yupingfeng powder,query the disease database of Genecards,OMIM,DisGeNET,Drugbank,etc.,use"non-small cell lung cancer"as the keyword to search the disease-related target,select the intersection target with Yupingfeng powder as the research target,and use Cytoscape 3.7.2 software to construct the active component-target network map.The protein-protein interaction network map was constructed by using STRING database,and the treatment core targets were further screened by topological parameters,and GO analysis and KEGG signal pathway enrichment analysis were carried out.Finally,molecular docking was verified.Results:37 active components of Yupingfeng Powder were screened,including 146 common targets and 44 core targets.GO analysis and KEGG analysis show that the core target participates in many biological processes such as angiogenesis and cell proliferation,and acts on a variety of signal pathways such as AGE-RAGE,IL-17,TNF,MAPK and so on.Molecular docking shows that the core compound has good docking activity with the target.Conclusion:Network pharmacological analysis shows that Yupingfeng powder in the treatment of non-small cell lung cancer involves multi-target and multi-pathway mechanism,and the drug and target have good docking activity,which can provide theoretical basis for follow-up experimental research.
文摘Background:To clarify the effectiveness and potential mechanism of Jiawei Buhuanjin Zhengqi powder(JBZP)for the prevention and treatment of coronavirus disease 2019(COVID-19)in children based on network pharmacology.Methods:The active ingredients and action targets of Jiawei Buhuanjin Zhengqi powder formulas were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.Genes related to COVID-19 were found on the GeneCards database.The active ingredients-target network map was constructed by Cytoscape.The action mechanisms of these genes were predicted using a Gene Ontology-based functional enrichment and annotation tool and the Kyoto Encyclopedia of Genes and Genomes.Results:Through Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,187 eligible compounds and 12,921 targets of Jiawei Buhuanjin Zhengqi powder were identified.A total of 257 genes related to Jiawei Buhuanjin Zhengqi powder and 401 genes related to COVID-19 in children were screened and 59 common target genes were obtained.The network analysis showed that the predicted seven main active components were Quercetin,Luteolin,Wogonin,Kaempferol,Irisolidone,Nobiletin and Licochalcone a.Gene Ontology and the Kyoto Encyclopedia of Genes and Genomes enrichment analysis revealed that key targets were associated with regulating immunological function or glycosylation through the biological processes.Conclusion:The potential mechanisms of Jiawei Buhuanjin Zhengqi powder on COVID-19 in children might be related to anti-inflammatory,virus infection,and immunomodulatory signaling pathway.
基金support plan of Shaanxi Province“Leading Talents in Scientific and Technological Innovation”program(TZ0326)Key Research and development projects of Shaanxi Province.
文摘Objective:To explore the mechanism of Yiyi Fuzi Baijiang p owder in treatment of ulcerative colitis in Coix Lacryma-jobi based on network pharmacology and molecular docking technology.Methods:Search for Yiyi Fuzi Baijiang powder’s active ingredient by traditional Chinese medicine database and analysis platform system pharmacology,Genecards,Uniprot database and Cytoscape software were used to construct the active component-ulcerative colitis disease target network,and gene ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis was performed,Autodock Vina was used for molecular docking verification.Results:Quercetin,luteolin,kaempferol,chrysin,macroanol B,β-sitosterol,stigmasterol,deltoan and rhizoctonine may play a role in the treatment of ulcerative colitis.KEGG pathway enrichment analysis showed that Yiyi Fuzi Baijiang p owder mainly involved i nterleukin-17 signaling pathway and cancer pathway,among which the key targets were PTGS2,HSP90AA1 and CASP3 and had a good binding activity with 10 main active components.Conclusion:The treatment of ulcerative colitis by Yiyi Fuzi Baijiang p owder may be mainly through quercetin,luteolin,macroanol B,β-sitosterol and other chemical components involved in cancer pathway,i nterleukin-17 signaling pathway acting on PTGS2,HSP90AA1,CASP3 and other disease targets in response to inorganic substances,response to cytokines and other biological processes f actor receptor binding and other molecular functions to achieve the purpose of treating u lcerative colitis.
基金Youth Project of Hebei Provincial Department of Education(QN2021008)Projects of the Central Government Guiding Local Scientific and Technological Development(202160201010405)+3 种基金Start up Fund for Scientific Research of High-level Talents of Chengde Medical University(202103,202106)Key Discipline Construction Project of Colleges and Universities in Hebei Province(JIJIAOGAO[2013]4)Technical Innovation Guidance Special Project of Hebei Science and Technology Department-Science and Technology Work ConsultationYouth PI Science and Technology Innovation Team of Herbal Genome of Chengde Medical University.
文摘The research of modern pharmacology displays that main material basis of Danggui Shaoyao Powder exerting efficacy includes ligustilide,paeoniflorin,poria acid,ferulic acid,ligustrazine and so on,and its efficacy is mainly realized by regulating neural receptor-ligand interaction,cytokine release,and TNF-αinflammatory pathway.Systematic study of metabonomics,serum pharmacochemistry and network pharmacology of Danggui Shaoyao Powder sufficiently clarifies its potential pharmacodynamic mechanism,and it could provide scientific theoretical basis for its clinical application.In this paper,by systemically analyzing material basis of Danggui Shaoyao Powder,and exploring its complex pharmacological mechanism and clinical application in vivo,it could comprehensively understand the clinical value of Danggui Shaoyao Powder,so as to provide beneficial reference for further development of the material basis,quality control and classical prescription of Danggui Shaoyao Powder.
文摘Chest arthralgia refers to a disease characterized by chest pain, even chest pain, shortness of breath and inability to lie down. The disease is recurrent in clinical, causing great harm to the life of patients. In this paper, Professor Li Ji based on Xiaoyao Powder in the treatment of chest arthralgia two cases were analyzed, showing Professor Li Ji clinical treatment of chest arthralgia ideas and methods, in order to fill a corner for clinical treatment of chest arthralgia.
基金General Program of National Natural Science Foundation(No.81874422)Excellent Inheritance Team of Beijing University of Chinese Medicine-Wang Yongyan Famous Doctor Inheritance Workstation Construction Project(No.1000062720028/010)。
文摘Objective:To study the potential therapeutic effect of Yigan Powder on Alzheimer’s disease(AD)comorbid Depressive Disorder with Network Pharmacology.Methods:The active ingredients of Yigan Powder were screened from Traditional Chinese Medicine Systems Pharmacology database and analysis platform(TCMSP)by ADME parameters,targets are predicted by Swiss Target Prediction database,disease targets are downloaded from GeneCards,OMIM and PharGKB database.Using R to run GO terms enrichment and KEGG pathway enrichment analysis.Protein interaction data is downloaded from the String database.Cytoscape software is used to build network.AutoDock Vina and PyMOL software are used for molecular docking.Results:There are 125 active ingredients in Yigan Powder with 953 predicted targets,85 of predicted targets are related to Alzheimer's Disease comorbid Depressive Disorder,shows highly enriched signaling pathways and biological processes.PPI network shows APP,MAPK1 and STAT3 may be important potential treatment of Alzheimer's Disease comorbid Depressive Disorder.The results of AutoDock Vina docking showed that the active ingredients of Yigan Powder had good binding activity with important receptors.Conclusion:Yigan Powder shows effect on neurotransmitter metabolism,synaptic transmission,neuroinflammation and other aspects in the treatment of Alzheimer's Disease comorbid Depressive Disorder.
基金Fund project:Anhui University of Traditional Chinese Medicine Student Innovation and Entrepreneurship Project(No.202006170606)Natural Science Key Project of Anhui University of Traditional Chinese Medicine(No.2020zrzd15)National Natural Youth Science Foundation of China(No.81904062)。
文摘Background:This paper investigates the anti-tumor mechanism of action of Poria cocos on the basis of network pharmacology.Method:In this paper,we screen the potential active ingredients of Poria cocos by TCMSP and obtain their corresponding targets with SwissTargetPrediction.The GeneCards and OMIM databases are used to screen the relevant pathogenic candidate targets in various tumor disease processes.Furthermore,we obtain Poria cocos-tumor common targets by taking the intersection of Poria cocos potential targets and candidate target groups.Subsequently,the protein-protein interaction network(PPI)of common target genes is mapped based on the STRING database,and the"drug-active component-target gene-disease"network is constructed with the help of Cytoscape3.7.2.Therefore,the core target genes are obtained.Finally,GO and pathway enrichment analysis of the core target genes are performed by Metascape and DAVID.Results:38 common targets and 7 core genes(ESR1,MAPK3,MAPK8,MTOR,PIK3CA,JAK2,and IL6)in Poria cocos-tumors are found.They play an anti-tumor role by regulating various classical pathways such as PI3K-Akt signaling pathway,mTOR signaling pathway,Prolactin signaling pathway,ErbB signaling pathway,Choline metabolism in cancer.Conclusion:The research reveals the effective anti-tumor function of Poria as a multi-component,multi-target and multi-pathway herbal medicine.
文摘Danzhi Xiaoyao powder was first introduced by Xue Ji,a Ming Dynasty physician,in the“Summary of Internal Medicine.”It is primarily used for treating the syndrome of liver depression transforming into heat and is widely used in the treatment of dermatology,internal medicine,gynecology,and other multi-system diseases.This medical prescription is aptly dispensed,its detoxification effect is strong,and it is a representative medical prescription for soothing the liver,strengthening the spleen and stomach,as well as eliminating heat stagnation.Chief Physician Wang Defen inherited the academic experience of the fifth batch of nationally known Chinese medicine experts,under the guidance of Professor Ji Haiwang,a notable Chinese medicine practitioner in Shaanxi Province and Professor Shi Bingyin,a renowned endocrinologist.Through follow-up studies,the various methods and empirical prescriptions of Danzhi Xiaoyao powder applied by Chief Physician Wang Defen in the treatment of common clinical diseases are summarized.They have been proven to have conclusive efficacy,thus providing guidance and reference for the dialectical treatment using traditional Chinese medicine.
基金the National Natural Science Foundation of China(8197339)Henan Science Fund for Distinguished Young Scholars(20300410249)Henan Science and Technology Research Project(22102310233).
文摘Traditional Chinese medicine(TCM)has unique advantages in preventing and treating depression based on holistic concepts and syndrome differentiation and treatment.Liver depression and spleen deficiency are the main syndrome of depression.Danzhi Xiaoyao powder has the efficacy of soothing the liver and relieving depression,nourishing blood,and strengthening spleen.Present studies have proven that it has antidepressant efficacy for the syndrome of liver depression and spleen deficiency.The basic research on pharmacodynamic substances has found that the main active ingredients of Danzhi Xiaoyao powder in the treatment of depression include bupleurum saponin,paeonol,gardenoside,angelica polysaccharide,sulfate polysaccharide,paeoniflorin,albiflorin,atractylone,etc.In clinical practice,Danzhi Xiaoyao powder is often modified to make it more suitable according to the characteristics of pathogenesis and changes in the disease condition.Our research group has found that“brain and spirit failure and liver failing to disperse”are the main pathogenesis of depression.Based on the theory of“liver–brain cotreatment,”the treatment principle of“dispersing the liver and relieving depression,strengthening brain and benefiting intelligence”was put forward.On the basis of Danzhi Xiaoyao powder,Shichangpu(Acori Tatarinowii Rhizoma)was added to enlighten the mind and Yuanzhi(Polygalae Radix)to calm the mind and benefit intelligence.The modified Danzhi Xiaoyao powder was formulated,and its clinical effects on depression were remarkable.Animal experiments also confirmed that modified Danzhi Xiaoyao powder can significantly improve the depression-like behavior of depression model rats and the mechanism may be related to the regulation of the hypothalamic–pituitary–adrenal axis,the increase of the content of 5-hydroxytryptamine,and norepinephrine,which provides a reference for the further promotion of the clinical application of modified Danzhi Xiaoyao powder in the treatment of depression.