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Screening of Effective Traditional Chinese Medicine Monomer Compounds for the Treatment of Nonorganic Sleep Disorders Based on Network Pharmacology
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作者 Conghui WANG Xiong CHEN +2 位作者 Keke MA Jiale LIAO Chunqi AI 《Medicinal Plant》 2024年第6期34-36,共3页
[Objectives] To find effective monomer compounds of traditional Chinese medicine targeting nonorganic sleep disorders.[Methods] The reverse thinking of "target-compound" was adopted to search for effective t... [Objectives] To find effective monomer compounds of traditional Chinese medicine targeting nonorganic sleep disorders.[Methods] The reverse thinking of "target-compound" was adopted to search for effective traditional Chinese medicine monomer compounds that intervene in the core targets of nonorganic sleep disorders, and molecular docking technology was used to verify the traditional Chinese medicine monomer compounds that meet the expected goals.[Results] Based on the storm related targets of nonorganic sleep disorders, five monomer compounds of traditional Chinese medicine were screened, namely paeoniflorin, chlorogenic acid, quercetin, baicalin, and ginsenoside Rg1. These monomer compounds of traditional Chinese medicine act on multiple targets such as CASP8, IKBKB, IL1B, IL6, CXCL8, etc. , thereby playing a role in calming the mind and improving sleep.[Conclusions] These monomer compounds of traditional Chinese medicine had potential pharmacological effects on nonorganic sleep disorders and high value in subsequent experiments and clinical applications. 展开更多
关键词 Nonorganic sleep disorders Monomer compounds of traditional Chinese medicine TARGET Network pharmacology
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The mechanism of Callistephus chinensis flavonoid compounds in the treatment of diabetes using network pharmacology and molecular docking
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作者 Mingyuan Yuan Xiaoli Wang +1 位作者 Ziqi Sun Xiaoshu Zhang 《Journal of Polyphenols》 2024年第1期11-19,共9页
The purpose of this project is used for exploring the mechanism of Callistephus chinensis in the treatment of diabetes by network pharmacology and molecular docking methods.The target of Callistephus chinensis was obt... The purpose of this project is used for exploring the mechanism of Callistephus chinensis in the treatment of diabetes by network pharmacology and molecular docking methods.The target of Callistephus chinensis was obtained from SwissTargetPrediction database,while the target related to diabetes was obtained from GeneCards and OMIM databases.The target was added in String database to build the protein interaction network.GO biological process enrichment analysis and KEGG pathway enrichment analysis were carried out by Metascape software,then the target-pathway network was constructed.Molecular docking was carried out in Discovery Studio 2016 Client software to verify the binding force of Callistephus chinensis flavonoid compounds with key targets.In this study,10 potential active components were selected from the flavonoid monomer compounds of Callistephus chinensis.1847 biological processes(BP),126 cell compositions(CC)and 256 molecular functions(MF)were obtained by GO enrichment analysis;a total of 194 pathways were involved in KEGG enrichment analysis of 192 cross targets.Network analysis showed that quercetin was the main active component of flavonoids in the treatment of diabetes,AKT1,TNF,VEGFA,EGFR,SRC and other related signals were in relation to the treatment of diabetes.This study showed that Callistephus chinensis flavonoid compounds play a role in the treatment of diabetes by regulating multi-target and multi-pathway. 展开更多
关键词 Callistephus chinensis flavonoid compounds DIABETES network pharmacology molecular docking
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Predicting bioactive compounds and cancer-related molecular targets of lotus seedpod (Receptaculum Nelumbinis) based on network pharmacology and molecular docking
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作者 Jian-Lin Shen Meng-Tong Zhang +8 位作者 Fei Li Jia-Yu Huang Quan-Sheng Xu Han-Yue Zhang Jun Zhang Jing Li Yan-Ping Li Qi Zou Xiao-Yin Wang 《Food and Health》 2024年第2期14-41,共28页
Background:Lotus seedpod(Receptaculum Nelumbinis)is the abundant by-products produced during lotus seed processing,and the sources are usually considered to be wastes and are abandoned outdoors or incinerated.This stu... Background:Lotus seedpod(Receptaculum Nelumbinis)is the abundant by-products produced during lotus seed processing,and the sources are usually considered to be wastes and are abandoned outdoors or incinerated.This study aims at predicting its bioactive compounds and cancer-related molecular targets against six cancers,including lung cancer,gastric cancer,liver cancer,breast cancer,ovarian cancer and cervical cancer.Methods:Network pharmacology and molecular docking methods were performed.Results:Network pharmacology results indicated that 14 core compounds(liensinine,tetrandrine,lysicamine,tricin,sanleng acid,cireneol G,ricinoleic acid,linolenic acid,5,7-dihydroxycoumarin,apigenin,luteolin,morin,quercetin and isorhamnetin)and 10 core targets(AKT1,ESR1,HSP90AA1,JUN,MAPK1,MAPK3,PIK3CA,PIK3R1,SRC and STAT3)were screened for lotus seedpod against the six cancers.Molecular docking analysis suggested that the binding abilities between the core compounds and the core targets were mostly strong.GO analysis revealed that the intersected targets between the bioactive compounds of lotus seedpod and the six cancers were significantly related to biological processes,cell compositions and molecular functions.KEGG analysis showed that PI3K-Akt,TNF,Ras,MAPK,HIF-1 and C-type lectin receptor signaling pathways were notably involved in the anti-cancer activities of lotus seedpod against the six cancers.Conclusions:14 core compounds and 10 core targets were screened for lotus seedpod against lung cancer,gastric cancer,liver cancer,breast cancer,ovarian cancer and cervical cancer.This study supports the application of lotus seedpod in treating cancers,and promotes the recycling and the high-value utilization. 展开更多
关键词 Lotus seedpod ANTI-CANCER Bioactive compounds Molecular targets Network pharmacology Molecular docking.
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Mechanism of action of Balanophora involucrata polyphenolic compounds in the treatment of myocardial injury based on network pharmacology and molecular docking techniques
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作者 Shipeng Duan Ting Gao +4 位作者 Feifei Li Xuehan Li Haojun Shen Fang Wang Xiaoshu Zhang 《Journal of Polyphenols》 2024年第2期45-55,共11页
The objective of this work was to investigate the mechanism of action of Balanophora involucrata polyphenolic compounds in the treatment of myocardial injury.In the present study,Balanophora involucrata was extracted ... The objective of this work was to investigate the mechanism of action of Balanophora involucrata polyphenolic compounds in the treatment of myocardial injury.In the present study,Balanophora involucrata was extracted by refluxing 75%of ethanol.The obtained extract was extracted with petroleum ether,ethyl acetate and n-butanol respectively.And the ethyl acetate layer was separated.The extract was prepared by silica gel column chromatography,sephadex LH-20 elution and thin layer chromatography.After that,the Swiss target prediction database was utilized to obtain the targets of Balanophora involucrata,and the Genecards,OMIM and TTD databases were used to predict and screen the targets of Balanophora involucrata for the treatment of myocardial injury.The active ingredient-target network was constructed using Cytoscape software,and the PPI network was mapped using String database and Cytoscape software.GO bioprocess enrichment analysis and KEGG pathway enrichment analysis were performed by Metascape software to predict the mechanism of action.Molecular docking was performed in Discovery Studio 2016 client software to verify the binding of Balanophora involucrata polyphenols to key targets.In this study,six polyphenolic compounds were isolated from Balanophora involucrata.By GO enrichment analysis,1614 biological processes(BP),127 cellular compositions(CC),and 215 molecular functions(MF)were obtained;a total of 155 cross-targets were involved in the KEGG enrichment analysis.The PPI network showed that quercetin was the main active component of polyphenolic compounds against myocardial injury and that AKT1,EGFR,STAT3,SRC,ESR1,MMP9,HSP90AA1 and other related signals were associated with myocardial injury treatment.Finally,the multi-component-multi-target-multi-pathway action of Balanophora involucrata was concluded,which provided new ideas and methods for further research on the mechanism of action of Balanophora involucrata in myocardial injury. 展开更多
关键词 Balanophora involucrata myocardial injury phenolic compounds network pharmacology molecular docking
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Analyzing the effective compounds, potential targets and diseases of Jianpi Jiedu recipe based on network pharmacology and function validation of cytobiology
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作者 Xue-Qing Hu Ru Jia +5 位作者 Xuan Liu Qin Song Hui-Rong Zhu Qi Li Qing Ji Yu Feng 《TMR Cancer》 2019年第1期127-132,共6页
Objective: To analyze the active compounds, potential drug targets and therapy diseases of Jianpi Jiedu Recipe (JPJDR) based on network pharmacology and bioinformatics technology, and verify the biological function of... Objective: To analyze the active compounds, potential drug targets and therapy diseases of Jianpi Jiedu Recipe (JPJDR) based on network pharmacology and bioinformatics technology, and verify the biological function of some active compounds by cytology experiments. Methods: The online databases including TCMSP, TCMID, Cancer HSP, TCM-PTD, TCM Database@Taiwan and DrugBank were applied to screen the active compounds and the potential drug targets of JPJDR. Cytoscape 3.3 software was executed to construct the network between active compounds and drug targets. DAVID database was used to probe the effective diseases and analyze the involved KEGG pathways according to the predicted targets corresponding to JPJDR. Results: According to the rules of oral bioavailability (OB)>30% and drug-likeness (DL)>0.18, 58 of 513 effective compounds in JPJDR were screened out, as well as the corresponding 437 potential drug targets. By the analysis of DAVID database, all these key targets were associated closely with the occurrence and development of metabolic disorders and cancers, and all the targets were closely correlated with the pathways in cancer. Further analysis demonstrated that, there were a lot of effective compounds in JPJDR, such as Quercetin, Formononetin, Stigmasterol, Diosgenin,β-sitsterol, Oxymatrine, Kaempferol, Isorhamnetin and Ampelopsis. The results of cell proliferation experiments further showed that, among the selected nine key traditional Chinese medicine compounds, only Ampelopsis can dose-dependently inhibit the proliferation of colorectal cancer cells. Conclusions: Through network pharmacology analysis, we found that JPJDR contains many effective compounds which may directly target to the cancer-related proteins. 9 compounds were the major active compounds with high degrees of targets. Among the 9 screened compounds, Ampelopsis was validated for its inhibitory effect on the proliferation of colorectal cancer cells using CCK-8 assay. Network pharmacology is an effective approach to explore the functional mechanism of formula. 展开更多
关键词 EFFECTIVE compound DRUG target Function validation Jianpi Jiedu RECIPE Network pharmacology
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Network pharmacology-based analysis on bioactive compounds and mechanisms in Yiqifumai formula in the treatment of heart failure
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作者 Herong Cui Kedian Chen +1 位作者 Xiaoyu Zhang Hongcai Shang 《TMR Modern Herbal Medicine》 CAS 2021年第4期44-51,共8页
Objective To predict the main bioactive components and potential mechanisms of Yiqifumai formula on heart failure by network pharmacology.Methods The bioactive compounds of Yiqifumai formula were screened by TCMSP dat... Objective To predict the main bioactive components and potential mechanisms of Yiqifumai formula on heart failure by network pharmacology.Methods The bioactive compounds of Yiqifumai formula were screened by TCMSP database.The target genes of heart failure were obtained by entering PharmMapper and GeneCards database.R 3.6.3 was used to intercept intersection network for candidate targets.The network of“drug-compound-target-disease”was established via Cytoscape 3.7.2 and STRING platform.The DAVID database was used for GO enrichment analysis and KEGG pathway based on the candidate targets.Results Eleven key compounds(such as Schizandrin C,Gomisin G,ginsenoside rh2,Ruscogenin etc.,),426 non-repeated targets and 382 heart failure targets were obtained from Yiqifumai formula.There were 565 GO items(P<0.05),among which 412 were biological process(BP)items,63 were cell components(CC)items,and 93 were molecular function(MF)items.One hundred and seventeen signal pathways were enriched by KEGG pathway(P<0.05).Conclusion The bioactive compounds in Yiqifumai formula can play the“multi-target”role of enhancing resistance and eliminating pathogenic factors via regulation of angiogenesis and immune in the treatment of heart failure. 展开更多
关键词 Network pharmacology Yiqifumai formula Heart failure MECHANISM Bioactive compound
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Neuroglobin and neuroprotection:the role of natural and synthetic compounds in neuroglobin pharmacological induction 被引量:2
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作者 Lidia Ciccone Susanna Nencetti +1 位作者 Simone Socci Elisabetta Orlandini 《Neural Regeneration Research》 SCIE CAS CSCD 2021年第12期2353-2358,共6页
Neuroglobin(Ngb)is a 17 kDa monomeric hexa-coordinated heme protein belonging to the globin family.Ngb is mainly expressed in neurons of the central and peripheral nervous system,although moderate levels of Ngb have b... Neuroglobin(Ngb)is a 17 kDa monomeric hexa-coordinated heme protein belonging to the globin family.Ngb is mainly expressed in neurons of the central and peripheral nervous system,although moderate levels of Ngb have been detected in non-nervous tissues.In the past decade,Ngb has been studied for its neuroprotective role in a large number of neurological disorders such as Alzheimer’s disease,Huntington’s disease,brain ischemia and hypoxia.This review discusses and summarizes the natural compounds and the small synthetic molecules capable of modulating Ngb expression that exhibits a protective role against various neurodegenerative diseases. 展开更多
关键词 NEUROGLOBIN neuroglobin pharmacological induction NEUROPROTECTION neurodegenerative diseases natural compounds synthetic small molecules Alzheimer’s disease Huntington’s disease
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Target Prediction and Molecular Mechanism of Compound Honggencao for Upper Respiratory Tract Infection Based on Network Pharmacology 被引量:1
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作者 Junhui Hu Jingyi Zhao +6 位作者 Ying Wang Yinhui Yao Song Jiang Jianhui Li Xun Xiao Yanping Jiang Yanwu Zhao 《Chinese Medicine》 2020年第1期19-29,共11页
Objective: The target prediction and molecular mechanism of compound Honggencao in the treatment of upper respiratory tract infection were investigated based on network pharmacology. Methods: In the database of Tradit... Objective: The target prediction and molecular mechanism of compound Honggencao in the treatment of upper respiratory tract infection were investigated based on network pharmacology. Methods: In the database of Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, chemical composition and potential targets of compound Honggencao were mined, and the target gene of upper respiratory tract infection of compound Honggencao was extracted from GeneCards databases. The protein-protein interaction of target genes was constructed. Then, the essential genes of enrichment of KEGG pathway analysis and functional analysis were analysed. Results: Compound Honggencao had 69 kinds of active ingredients. The upper respiratory tract infection of the target gene was 186 that built compound Honggencao on the relationship between upper respiratory tract infections of protein interaction networks, which had a total of 186 nodes, 3515 sides. Fifty-six essential genes were including IL-17, EGFR and CDND1, and so on. Gene ontology analysis had 2567 items, and pathway analysis was 166 items. The main signaling pathways involved with IL-17 signaling pathways, tumour necrosis factor signal pathway and human cytomegalovirus infection, and so on. Conclusion: The pharmacological action of compound Honggencao on upper respiratory tract infection was characterized by the synergistic effect of multiple components and multiple targets, which provided an absolute theoretical basis for the research on the pharmacological direction of molecular signaling pathway and a specific theoretical basis for clinical use. 展开更多
关键词 Network pharmacology compound Honggencao UPPER RESPIRATORY TRACT Infection Target Molecular Mechanism
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Network pharmacology based method for mechanistic investigation of the Compound Xintahua in the treatment of atherosclerosis 被引量:1
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作者 Yu-Che Wu Yan-Ming Wang Na-Bi Xinhua 《TMR Modern Herbal Medicine》 2019年第4期225-236,共12页
Objective:To explore the pharmacological basis of the Compound Xintahua (XTH) action in Atherosclerosis (AS) therapy, a network interaction analysis was conducted at the molecular level. Methods:TCMSP database and lit... Objective:To explore the pharmacological basis of the Compound Xintahua (XTH) action in Atherosclerosis (AS) therapy, a network interaction analysis was conducted at the molecular level. Methods:TCMSP database and literature mining were used to analyze the main effective components in XTH, and the targets were predicted by Swiss Target Prediction server according to AS mechanism. The potential targets were introduced into the FunRich database for target annotation and analysis, the path analysis was finally performed based on the FunRich databases. To determine the mechanism of action of XTH. Results:A total of 316 compounds, 117 targets, and 290 signaling pathways were identified. And 16 effective compounds, 39 common targets, and 43 pathways were associated with AS. Conclusions:The results showed that the flavonoids, phenols, organic acids and terpenoids of XTH could participate in the process of lipid metabolism, angiogenesis, oxidation, inflammation, endocrine metabolism, cell proliferation and apoptosis, It was further found that they could play the role of anti-Atherosclerosis through multi-component, multi-target, and multi-channel synergistically. 展开更多
关键词 Network pharmacology compound Xintahua (XTH) ATHEROSCLEROSIS pharmacological mechanism TARGETS
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Research Progress in the Application of Network Pharmacology in Traditional Chinese Medicine and Compound Prescriptions
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作者 Jiangcun WEI Zujie QIN +5 位作者 Xiumei MA Wen ZHONG Zongxi SUN Liping QIN Yinghong HUANG Xianyi SHI 《Medicinal Plant》 CAS 2021年第3期1-3,6,共4页
Network pharmacology is a new discipline based on the theory of systems biology,mainly for network analysis of biological systems.It selects specific signal nodes for multi-target drug molecular design.This article su... Network pharmacology is a new discipline based on the theory of systems biology,mainly for network analysis of biological systems.It selects specific signal nodes for multi-target drug molecular design.This article summarizes the application of network pharmacology in traditional Chinese medicine and compound prescriptions in recent years from the research progress of network pharmacology,the current research status of single herbs,and the research and application of compound prescriptions. 展开更多
关键词 Network pharmacology Traditional Chinese medicine compound prescription
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Preliminary exploration of the mechanism of compound Qinlan oral liquid against new coronavirus pneumonia based on network pharmacology and molecular docking technology
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作者 Hao Wu Chuanxin Liu +6 位作者 Yuwei Yang Juan Xue Zhunwei Ke Wei Zheng Tianyi Li Yikun Sun Chenning Zhang 《TMR Modern Herbal Medicine》 2020年第3期128-139,共12页
Objective:Applying Traditional Chinese Medicine(TCM)network pharmacology and molecular docking technology to explore the mechanism of anti-coronary virus pneumonia(Corona Virus Disease 2019,COVID-19)of Compound Qinlan... Objective:Applying Traditional Chinese Medicine(TCM)network pharmacology and molecular docking technology to explore the mechanism of anti-coronary virus pneumonia(Corona Virus Disease 2019,COVID-19)of Compound Qinlan oral liquid.Methods:Traditional Chinese Medicines Integrated Database(TCMID),Traditional Chinese Medicine Systems Pharmacology(TCMSP),OMIM,GeneCards,String and others online databases were used for building a series of networks,and selecting the core targets and analyzing the signal pathways.Finally,Discovery Studio 2016 software was used to conduct molecular docking of the main compounds(Chinese Medicine Legal Quality Control Compound)of Compound Qinlan oral liquid with key targets ACE2,3CLpro,etc.Results:the results showed that Compound Qinlan oral liquid has specific effects in lung,heart and stomach diseases.The Compound Qinlan oral liquid compound-pneumonia target network contained 98 compounds and 184 corresponding targets,and the core targets involved INS,TP53,IL6,VEGFA,ALB and JUN.GO(GeneOntology)function enrichment analysis yielded 653 GO entries,and KEGG(KyotoEncyclopedia of Genes and Genomes)enrichment screening yielded 112 related pathways,including hypoxia inducible factor-1(HIF-1)and Toll-like receptor(TLRs)signaling pathway related to pneumonia,as well as Influenza A signaling pathway and Hepatitis B signaling pathway related to microbial infection.The results of molecular docking show that Isochlorogenic acid C,Baicalein,etc have good binding capacity with ACE2,3CLpro,AKT1 and other proteins.Conclusion:In this paper,we preliminarily explored the potential therapeutic mechanism for Compound Qinlan oral liquid to against coronavirus pneumonia(COVID-19)and predicted the active ingredients.We hope that the results will help to further study on the active ingredients and mechanism of Compound Qinlan oral liquid for anti-COVID-19. 展开更多
关键词 COVID-19 compound Qinlan ORAL liquid Network pharmacology Molecular MECHANISM
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Molecular mechanism of Compound Qingdai Capsule in the treatment of psoriasis based on network pharmacology and molecular docking
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作者 Min Li Dan-Dan Zhan +2 位作者 Xiao-Han Hu Yu Wang Zhou Zhou 《Life Research》 2023年第1期29-38,共10页
Objective:Although Compound Qingdai Capsule(CQC)successfully treats psoriasis,the exact mechanism remains unclear.Our research used network pharmacology to investigate the molecular mechanism of CQC in treating psoria... Objective:Although Compound Qingdai Capsule(CQC)successfully treats psoriasis,the exact mechanism remains unclear.Our research used network pharmacology to investigate the molecular mechanism of CQC in treating psoriasis.Methods:The Traditional Chinese Medicine Systems Pharmacology platform was used to screen the bioactive chemical elements and identify gene targets,and the ingredient-target network was visualized by Cytoscape software.Genes associated with psoriasis were found in the Gene Expression Omnibus database.The protein-protein interaction network was created using STRING and Cytoscape,and the hub genes were identified using MCODE and topological analysis.Gene ontology and Kyoto encyclopedia of genes and genomes analyses were applied to obtain hub genes’biological processes and signaling pathways.Subsequently,the ingredient-target-pathway-disease network was visualized by Cytoscape.Results:Finally,an active ingredient-target network of CQC containing 130 active ingredients and 213 targets was built.Conclusion:The top 3 bioactive components were identified as quercetin,luteolin,and kaempferol,and the top 5 hub genes were identified as IL1B,CXCL8,STAT3,MMP9,and HMOX1.The critical pathways of CQC treatment in psoriasis were AGE-RAGE signaling,IL-17 signaling,TNF signaling,Fluid shear stress and atherosclerosis,and Toll-like receptor signaling pathway.Molecular docking confirmed a robust binding affinity between the main active ingredients of CQC with the hub target proteins.On this basis,additional animal or cellular research might be undertaken to investigate the targets and mechanisms of CQC treatment in psoriasis. 展开更多
关键词 PSORIASIS compound Qingdai Capsule network pharmacology molecular docking
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Research progress of phenolic compounds and pharmacological effects in Cerasus
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作者 Yihan Sun Sheng Dong +2 位作者 Caibin Yang Yaqi Wang Guogang Zhang 《Journal of Polyphenols》 2021年第1期42-61,共20页
The phenolic compounds in Cerasus were complex,mainly including flavonoids,phenolic acids and lignin,and had antioxidant,anti-inflammatory,anti-tumor,hypoglycemic and other pharmacological activities.Its fruit contain... The phenolic compounds in Cerasus were complex,mainly including flavonoids,phenolic acids and lignin,and had antioxidant,anti-inflammatory,anti-tumor,hypoglycemic and other pharmacological activities.Its fruit contains calcium,sugar,iron,phosphorus,protein,carotene and vitamin C,which has high nutritional value.This paper reviews the research progress of chemical constituents and pharmacological effects of Cerasus in recent years,so as to provide reference for its further research. 展开更多
关键词 Cerasus plant phenolic compound pharmacological activity
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Study on pharmacodynamic mechanism of compound Shuanghuanglian in prevention and treatment of pneumonia based on network pharmacology and association analysis
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作者 Xiao-Lin Zhang Cao Di +4 位作者 Long Zhang Chao-Chao Hua De-Hui Ma Hui-Hui Liu Ming-Jun Liu 《Medical Data Mining》 2021年第3期37-46,共10页
Background:Platform for prediction and analysis of Chinese medicine against coronavirus disease 2019(TCMAntiCOVID-19 V1.0)was used to explore the active ingredients,key targets and mechanisms of the compound coronavir... Background:Platform for prediction and analysis of Chinese medicine against coronavirus disease 2019(TCMAntiCOVID-19 V1.0)was used to explore the active ingredients,key targets and mechanisms of the compound coronavirus disease 2019(COVID-19),It will provide a reference for the clinical application of this prescription as a broad-spectrum agent in the prevention and treatment of pneumonia.It will also win valuable time for finding symptomatic Chinese medicine prescriptions and vaccine research and development.Methods:Set Banxia Tianma Baizhu decoction as the negative control.Qingfei Paidu decoction as the positive control,and use TCMAntiCOVID-19 V1.0 platform to predict the potential efficacy of compound Shuanghuanglian.We used the quantitative evaluation algorithm of multi-target drugs for the network disturbance of disease,by comparing the changes of network topological characteristics before and after drug intervention,and using the disturbance rate to evaluate the drug’s dryness for disease prediction.Using batman-TCM,the credibility card value of the target sets 20,then the target of traditional Chinese medicine composition is predicted,the heterogeneous network of traditional Chinese medicine composition-drug target-disease target is established.The interaction of related network is realized by JavaScript Visualization is realized,and cycloscape is edited.The average connectivity,the average shortest path length,the centrality of connectivity and the centrality of network compactness are calculated by using R’s iGraph package,and nulldistribution is used as the overall distribution to correct the disturbance rate of drugs to the real network,so as to evaluate the stability of network topology and explore its mechanism.Results:The key targets of COVID-19 were Aif1,Ccl2,Cdc20,Cxcl13,Fcer1g,Ido1,Ifng,Il10,Il1rnIl6,Ncf4,Ptger4,Spi1,Tnf,Xcl1;after the intervention,the average connectivity,the average shortest path length,the network connectivity centrality and the network tightness centrality were(2.31e+1),(2.41e+0),(6.21e−1),(1.68e−2)respectively;the total scores of network stability evaluation of drug intervention diseases were 18.29,12.59 and 19.10 respectively.Conclusion:Compound Shuanghuanglian can effectively break the stability of the disease network of COVID-19,and the overall effect of prevention and treatment of COVID-19 is close to that of the positive control Qingfei Paidu decoction,which is significantly better than that of the negative control Banxia Tianma Baizhu decoction.That is because compound Shuanghuanglian mainly acts on Aif1,Ccl2,Cdc20,Cxcl13,Fcer1g and other key targets.Compound Shuanghuanglian plays important role of inhibiting the inflammatory response of patients with COVID-19 and alleviating lung injury,so as to achieve the purpose of treating COVID-19.At the same time,in the initial stage of COVID-19 and other sudden infectious pneumoniausing compound Shuanghuanglian can win valuable time before finding symptomatic Chinese medicine prescription and vaccine research. 展开更多
关键词 compound Shuanghuanglian Coronavirus disease 2019 TCMAntiCOVID-19 Network pharmacology Pharmacodynamic mechanism
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Bioactive compounds of sea cucumbers and their therapeutic effects 被引量:10
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作者 时淑娟 冯文静 +3 位作者 胡松 梁世秀 安妮娜 毛拥军 《Chinese Journal of Oceanology and Limnology》 SCIE CAS CSCD 2016年第3期549-558,共10页
Abstract Sea cucumbers belong to the Class Holothuroidea of marine invertebrates. They are commercially valuable and prized as a food and folk medicine in Asia. Nutritionally, sea cucumbers have an impressive profile ... Abstract Sea cucumbers belong to the Class Holothuroidea of marine invertebrates. They are commercially valuable and prized as a food and folk medicine in Asia. Nutritionally, sea cucumbers have an impressive profile of valuable nutrients such as vitamins, minerals and amino acids. A number of unique biological and pharmacological activities/properties, including anticancer, anticoagulant/antithrombotic, antimicrobial, antioxidant, antihyperlipidemic, antihyperglycemic, anti-inflammatory, antihypertension and radioprotective, have been ascribed to various compounds isolated from sea cucumbers. The therapeutic properties and medicinal benefits of sea cucumbers can be linked to the presence of a wide array ofbioactives, especially triterpene glycosides, acid mucopolysaccharide, sphingoid bases, glycolipids, fucosylated chondroitin sulfate, polysaccharides, phospholipids, cerebrosides, phosphatidylcholines, and other extracts and hydrolysates. This review highlights the valuable bioactive components as well as the multiple therapeutic properties of sea cucumbers with a view to exploring their potential uses as functional foods and a natural source of new multifunctional drugs. 展开更多
关键词 sea cucumber bioactive compounds biological activities pharmacological activities therapeutic effects
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Biodegradability of Chlorinated Anilines in Waters 被引量:1
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作者 CHAO WANG GUANG-HUALU YAN-JIE ZHOU 《Biomedical and Environmental Sciences》 SCIE CAS CSCD 2007年第2期141-145,共5页
Objective To identify the bacteria tolerating chlorinated anilines and to study the biodegradability of o-chloroaniline and its coexistent compounds. Methods Microbial community of complex bacteria was identified by p... Objective To identify the bacteria tolerating chlorinated anilines and to study the biodegradability of o-chloroaniline and its coexistent compounds. Methods Microbial community of complex bacteria was identified by plate culture observation techniques and Gram stain method. Bacterial growth inhibition test was used to determine the tolerance of complex bacteria to toxicant. Biodegradability of chlorinated anilines was determined using domesticated complex bacteria as an inoculum by shaking-flask test. Results The complex bacteria were identified, consisting of Xanthomonas, Bacillus alcaligenes, Acinetobacter, Pseudomonas, and Actinomycetaceae nocardia. The obtained complex bacteria were more tolerant to o-chloroaniline than mixture bacteria in natural river waters. The effects of exposure concentration and inoculum size on the biodegradability of o-chloroaniline were analyzed, and the biodegradation characteristics of single o-chloroaniline and 2, 4-dichloroaniline were compared with the coexistent compounds. Conclusion The biodegradation rates can be improved by decreasing concentration of compounds and increasing inoculum size of complex bacteria. When o-chloroaniline coexists with aniline, the latter is biodegraded prior to the former, and as a consequence the metabolic efficiency of o-chloroaniline is improved with the increase of aniline concentration. Meanwhile, when o-chloroaniline coexists with 2,4-dichloroaniline, the metabolic efficiency of 2,4-dichloroaniline is markedly improved. 展开更多
关键词 Complex bacteria Chlorinated anilines BIODEGRADABILITY Coexistent compounds
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Research Status of Serum Pharmacology and Serum Pharmacochemistry of Traditional Chinese Medicine 被引量:2
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作者 Qun CHEN Ling HUANG +1 位作者 Rui WANG Cong PANG 《Agricultural Biotechnology》 CAS 2021年第1期126-128,共3页
Serum pharmacochemistry of traditional Chinese medicine has become a more accurate and rapidly developing reasonable way to analyze the effective material basis of traditional Chinese medicine in recent years. Through... Serum pharmacochemistry of traditional Chinese medicine has become a more accurate and rapidly developing reasonable way to analyze the effective material basis of traditional Chinese medicine in recent years. Through this method, we can select very complex Chinese medicine components and clarify the effective substances consistent with the main functions, and then separate and purify effective ingredients in traditional Chinese medicine, so as to explain the material basis of the drug effect and prove the rationality and principle of action of Chinese medicine compounds. It can show the multi-component and multi-target characteristic of traditional Chinese medicine, and after analyzing the migrating components of serum, we can explore the direct effective substances that act on the patient’s body, so as to accelerate and accurately complete the in-depth study of the effective substances of Chinese medicine. 展开更多
关键词 Traditional Chinese Medicine Field Serum pharmacology Serum pharmacochemistry Application overview Chinese herbal compound
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Multi-target mechanism of triphala in cardio-cerebral vascular diseases based on network pharmacology 被引量:11
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作者 LIU Tian-long WANG Wen-jun +1 位作者 WEN Ai-dong DING Yi 《中国药理学与毒理学杂志》 CAS 北大核心 2019年第9期740-741,共2页
OBJECTIVE Numerous references made clear that triphala is revered as a multiuse therapeutic and perhaps even panacea historically.Nevertheless,the protective mechanism of triphala on cardio-cerebral vascular diseases(... OBJECTIVE Numerous references made clear that triphala is revered as a multiuse therapeutic and perhaps even panacea historically.Nevertheless,the protective mechanism of triphala on cardio-cerebral vascular diseases(CCVDs)remains not comprehensive understanding.Hence,a network pharmacology-based method was suggested in this study to address this problem.METHODS This study was based on network pharmacology and bioinformatics analysis.Information on compounds in herbal medicines of triphala formula was acquired from public databases.Oral bioavailability as well as drug-likeness were screened by using absorption,distribution,metabolism,and excretion(ADME)criteria.Then,components of triphala,candidate targets of each component and known therapeutic targets of CCVDs were collected.Compound-target gene and compounds-CCVDs target networks were created through network pharmacology data sources.In addition,key targets and pathway enrichment were analyzed by STRING database and DAVID database.Moreover,we verified three of the key targets(PTGS2,MMP9 and IL-6)predicted by using Western blotting analysis.RESULTS Network analysis determined 132 compounds in three herbal medicines that were subjected to ADME screening,and 23 compounds as well as 65 genes formed the principal pathways linked to CCVDs.And 10 compounds,which actually linked to more than three genes,are determined as crucial chemicals.Core genes in this network were IL-6,TNF,VEGFA,PTGS2,CXCL8,TP53,CCL2,IL-10,MMP9 and SERPINE1.And pathways in cancer,TNF signaling path⁃way,neuroactive ligand-receptor interaction,etc.related to CCVDs were identified.In vitro experiments,the results indi⁃cated that compared with the control group(no treatment),PTGS2,MMP9 and IL-6 were up-regulated by treatment of 10μg·L^-1 TNF-α,while pretreatment with 20-80 mg·L^-1 triphala could significantly inhibit the expression of PTGS2,MMP9 and IL-6.With increasing Triphala concentration,the expression of PTGS2,MMP9 and IL-6 decreased.CON⁃CLUSION Complex components and pharmacological mechanism of triphala,and obtained some potential therapeutic targets of CCVDs,which could provide theoretical basis for the research and development of new drugs for treating CCVDs. 展开更多
关键词 TRIPHALA cardio-cerebral vascular diseases network pharmacology compound-target gene network
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Network pharmacology-based strategy for predicting therapy targets of Sanqi and Huangjing in diabetes mellitus 被引量:1
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作者 Xiao-Yan Cui Xiao Wu +1 位作者 Dan Lu Dan Wang 《World Journal of Clinical Cases》 SCIE 2022年第20期6900-6914,共15页
BACKGROUND A comprehensive literature search shows that Sanqi and Huangjing(SQHJ)can improve diabetes treatment in vivo and in vitro,respectively.However,the combined effects of SQHJ on diabetes mellitus(DM)are still ... BACKGROUND A comprehensive literature search shows that Sanqi and Huangjing(SQHJ)can improve diabetes treatment in vivo and in vitro,respectively.However,the combined effects of SQHJ on diabetes mellitus(DM)are still unclear.AIM To explore the potential mechanism of Panax notoginseng(Sanqi in Chinese)and Polygonati Rhizoma(Huangjing in Chinese)for the treatment of DM using network pharmacology.METHODS The active components of SQHJ and targets were predicted and screened by network pharmacology through oral bioavailability and drug-likeness filtration using the Traditional Chinese Medicine Systems Pharmacology Analysis Platform database.The potential targets for the treatment of DM were identified according to the DisGeNET database.A comparative analysis was performed to investigate the overlapping genes between active component targets and DM treatmentrelated targets.We constructed networks of the active component-target and target pathways of SQHJ using Cytoscape software and then analyzed the gene functions.Using the STRING database to perform an interaction analysis among overlapping genes and a topological analysis,the interactions between potential targets were identified.Gene Ontology(GO)function analyses and Kyoto Encyclopedia of Genes and Genomes enrichment analyses were conducted in DAVID.RESULTS We screened 18 active components from 157 SQHJ components,187 potential targets for active components and 115 overlapping genes for active components and DM.The network pharmacology analysis revealed that quercetin,beta-sitosterol,baicalein,etc.were the major active components.The mechanism underlying the SQHJ intervention effects in DM may involve nine core targets(TP53,AKT1,CASP3,TNF,interleukin-6,PTGS2,MMP9,JUN,and MAPK1).The screening and enrichment analysis revealed that the treatment of DM using SQHJ primarily involved 16 GO enriched terms and 13 related pathways.CONCLUSION SQHJ treatment for DM targets TP53,AKT1,CASP3,and TNF and participates in pathways in leishmaniasis and cancer. 展开更多
关键词 Panax notoginseng(Sanqi in Chinese) Polygonati Rhizoma(Huangjing in Chinese) Diabetes mellitus Active compounds Network pharmacology Hub genes
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Therapeutic role of Ricinus communis L. and its bioactive compounds in disease prevention and treatment
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作者 Waseem Mohammed Abdul Nahid H.Hajrah +5 位作者 Jamal S.M.Sabir Saleh M.Al-Garni Meshaal J.Sabir Saleh A.Kabli Kulvinder Singh Saini Roop Singh Bora 《Asian Pacific Journal of Tropical Medicine》 SCIE CAS 2018年第3期177-185,共9页
Ricinus communis L.(R. communis), commonly known as castor oil plant, is used as a traditional natural remedy or folkloric herb for the control and treatment of a wide range of diseases around the globe. Various studi... Ricinus communis L.(R. communis), commonly known as castor oil plant, is used as a traditional natural remedy or folkloric herb for the control and treatment of a wide range of diseases around the globe. Various studies have revealed the presence of diverse phytochemicals such as alkaloids.flavonoids, terpenes, saponins,phenolic compounds such as kaempferol, gallic acid, ricin, rutin, lupeol, ricinoleic acid, pinene, thujone and gentisic acid.These phytochemicals have been responsible for pharmacological and therapeutic effects,including anticancer, antimicrobial, insecticidal, antioxidant, anti-diabetic, antinociceptive,anti-inflammatory. bone regenerative, analgesic, and anticonvulsant activity. R. communis harbours phytochemicals which have been shown to target peroxisome proliferator activated receptor(PPAR), nuclear factor NF-κ-B, cytochrome p450, P38 mitogen-activated protein kinases kinase(p38 MAPK), tumor protein P53, B-cell lymphoma-extra-large(Bcl-xL) and vascular endothelial growth factor receptor-2(VEGFR-2). Considering its wide variety of phytochemicals, its pharmacological activity and the subsequent clinical trials, R. communis could be a good candidate for discovering novel complementary drugs. Further experimental and advanced clinical studies are required to explore the pharmaceutical, beneficial therapeutic and safety prospects of R. communis with its phytochemicals as a herbal and complementary medicine for combating various diseases and disorders. 展开更多
关键词 Ricinus communis Bioactive compounds ETHNOMEDICINE Molecular targets ANTI-CANCER pharmacology
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