Pharmacological effects of volatile oil from chrysanthemum and its associated mechanisms:a review

Volatile oil(VO)is the main chemical component of common plants in Chrysanthemum genus,and it possesses several beneficial pharmacological properties,including bacteriostatic,antioxidant,anti-tumor,anti-inflammatory,antipyretic,analgesic,antiosteoporotic,antihypertensive,sedative,and hypnotic effects.To date,research on the effective components of Chrysanthemum extract has mainly focused on flavonoids,whereas limited data are available on the chemical constituents and underlying mechanisms of action of the VO components.In this review,the pharmacological activities and mechanisms of VO are comprehensively reviewed with the aim of providing a foundation for further development for medicinal,aromatherapy,and diet therapy applications.

Network Pharmacological Analysis of Action Mechanism of Mongolian Medicine Rhododendron micranthum Turcz. in Treating Lung Cancer

[Objectives]To explore the action mechanism of Mongolian medicine Rhododendron micranthum Turcz.on lung cancer by network pharmacology.[Methods]Based on the high-throughput experiment and reference database(HERB)of traditional Chinese medicine,component target database(Swiss ADME),small molecule drug target prediction online platform(SWISS Target Prediction),human gene business card database(GENECARD),the database of genes and mutation sites related to human diseases(DISGENET)and other databases,the target genes of drugs and diseases were screened out.Venny software was used for obtaining the target intersection of active components of the Mongolian medicine R.micranthum Turcz.and the lung cancer,a CytoNCA plug-in in cytoscape 3.10.0 software was used for screening candidate core target genes,and related effective components were obtained in a reverse direction.A drug-active ingredient-gene-disease regulation network was established,a protein-protein interaction(PPI)network was established by means of the STRING database to screen core genes,and common targets were screened by the David database.Gene Ontology(GO)function and Kyoto Encyclopedia of Genes and Genomes(KEGG)were used for enrichment analysis.[Results]There were 13 effective components of Mongolian medicine R.micranthum Turcz.for treating lung cancer and 115 drug disease intersection target genes.Core genes affecting the disease included SRC,HSP90AB1,EGFR,AKT1,and ERBB2.GO functional enrichment analysis involved 462 items of biological processes,64 items of cellular components and 126 items of molecular functions.Enrichment analysis of KEGG signaling pathways screened out cancer pathways,endocrine resistance,PI3K-Akt signaling pathways,proteoglycans in cancer and other signaling pathways.[Conclusions]Mongolian medicine R.micranthum Turcz.can inhibit the proliferation of lung cancer cells from multiple targets and pathways,and the results of network pharmaceutical analysis provide a theoretical basis for further experimental research.

Study on the Mechanism of Action of Glyasperin A in the Treatment of Atherosclerosis Based on Network Pharmacology and Molecular Docking

[Objectives] This study was conducted to investigate the mechanism of action of glyasperin A in the treatment of atherosclerosis using a network pharmacology approach. [Methods] Targets related to atherosclerosis were searched in GeneCards database. An active ingredient-disease-target network was constructed by Cytoscape 3.7.1. A target protein interaction network was constructed by String database. Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis were performed on the DAVID database. [Results] Glyasperin A acted on 36 atherosclerosis-related targets, and the biofunctional and pathway enrichment analyses showed that it was mainly involved in response to xenobiotic stimulus, drug transport across blood-brain barrier, lipid oxidation, barrier, and lipid oxidation, etc. The results showed that glyasperin A acted on 36 atherosclerosis-related targets. The biofunctional and pathway enrichment analyses showed that it was mainly involved in response to xenobiotic stimulus, drug transport across blood-brain barrier, lipid oxidation, positive regulation of protein localization to nucleus, and hepoxilin biosynthetic process, and it played an anti-fatigue role through signal pathways such as serotonergic synapse, efferocytosis, arachidonic acid metabolism, chemical carcinogenesis-receptor activation and platelet activation. [Conclusions] Glyasperin A has multi-target and multi-pathway effects in the treatment of atherosclerosis. This study provides reference for further research on glyasperin A in the treatment of atherosclerosis.

Research Progress on the Antineoplastic Pharmacological Effects and Mechanisms of Litchi Seeds

Researchers have proven the Litchi seeds of possessing salutary pharmacodynamic effects, such as dispelling cold, relieving pain, promoting the circulation of qi, and removing stasis. This has resulted in its categorization as an affinal drug and diet in the traditional Chinese medicine. Important research progress has been obtained on the chemical components, traditional pharmacological effects, antivirus and antitumor effects, their molecular mechanisms and immune effects of litchi seeds in recent years. In this review, we have focused on the antitumorrelated effects and mechanisms for the purpose of better utilization and comprehensive understanding of litchi seeds.

Pharmacological Studies of Meisoindigo: Absorption and Mechanism of Action

Meisoindigo, an indirubin derivative, is a new type of cancer chemotherapeutic agent. It exhibited higher activity against rodent tumors than indirubin itself. Experiments have shown the improved absorption of meisoindigo, compared to indirubin to be one of the major reasons for the enhancement of antitumor activity. Studies on the mechanism of meisoindigo action indicate that it strongly inhibits DNA biosynthesis in tumor cells. Strong inhibition of the drug on assembly of microtubule protein was also obtained. By means of FCM technique the effects of meisoindigo on mouse leukemia L1210 cell cycle were examined. Experimental results showed that under the action of meisoindigo the S phase cells accumulated and the traverse of the cells in G2 + M phase to G1 phase may also be blocked to some extent.

Analysis on the medication rules and mechanisms of action of traditional Chinese medicine in treating cervical cancer

Objective: To summarize the rule of application of traditional Chinese medicine (TCM) in the prevention and treatment of cervical cancer, and to explore the molecular mechanism of the compatibility of core herbs. Methods: Collect relevant literatures on cervical cancer in Chinese National Knowledgey Ifrastructure (CNKI), use TCM inheritance platform system (TCMISSV2.5) for association rules and complex system entropy clustering analysis;use BATMAN-TCM online analysis tools to construct target-pathway-disease network to reveal the underlying mechanisms of action. Results: Among the 78 prescriptions selected, a total of 172 Chinese medicines were used, and the five most frequently used herbs were Huang-bo (Phellodendri Chinrnsis Cortex), Fu-ling (Poria Cocos), Huang-qi (Hedysarum Multijugum Maxim.), Bai-hua-she-she-cao (Hedyotis Diffusae Herba) and Gan-cao (Licorice). Bai-hua-she-she-cao (Hedyotis Diffusae Herba) and Huang-qi (Hedysarum Multijugum Maxim.), Bai-hua-she-she-cao (Hedyotis Diffusae Herba) and Fu-ling (Poria Cocos), Bai-zhu (Atractylodes Macrocephala Koidz.) and Fu-ling (Poria Cocos) are the three most commonly used medicine match. In addition, through cluster analysis, a total of 4 core herbs compatibility and 2 new prescriptions were excavated. Herbs in the new prescriptions which are used to clearing heat-toxin and removing dampness were most frequently used. Through the analysis of the signal pathway of high frequency Chinese medicines, we found that neuroactive ligand-receptor interaction pathway may play important roles. Conclusion: The core Chinese medicines for the prevention and treatment of cervical cancer are mainly clearing heat-toxin and removing dampness. The core Chinese medicines may play their anti-cervical cancer by interfering with the neuroactive ligand-receptor interaction signaling pathway.

A network pharmacology approach to explore action mechanisms of Bi xie and Tu fuling for treating gouty arthritis

Objective:The mechanism of Chinese herbal medicine"Bi xie and Tu fuling"on the treatment of gouty arthritis was explored through network pharmacological methods.Methods:First,the TCMSP Chinese medicine system pharmacology database and analysis platform were used to define the bioavailability(OB)30%and drug-likeness(DL)0.18.Database to mine genetic targets related to gouty arthritis disease.Finally,the two genes are intersected to construct a Chinese medicine regulatory network of Chinese medicine-components-target genes-disease.The genes in the network are used to construct a protein interaction network to find core genes for analysis of GO and KEGG.Results:There were a total of 84 active ingredients in Chinese medicine Poria and Poria cocos,and 17 effective ingredients and 180 genetic targets were obtained after screening.600 disease targets for gouty arthritis were identified,and 58 were common target genes for both.PPI network analysis revealed that IL1β,VEGFA,MAPK1,IL10,and PTGS2 may be drugs for treating gouty arthritis.Key targets.GO enrichment analysis identified 1,399 entries(P<0.05),of which biological processes mainly include biological stimulation,biological regulation,cell metabolism,etc;KEGG pathway enrichment analysis identified 152 signal pathways,of which signal pathways involved inflammation,metabolism,In terms of aging,mainly including the IL-4,IL-10,IL-13,IL-17signal pathway,etc.Conclusion:"Bi xie and Tu fuling"drugs have anti-inflammatory and immunological effects on gouty arthritis through multiple targets and multiple pathways.The mechanism of lowering uric acid and protecting liver and kidney is not clear.It needs molecular biology research to improve it.The mechanism of the action of the"Bi xie and Tu fuling"medicine pair provides new ideas for the clinical prescriptions.

A network pharmacology approach to explore action mechanisms of Si Miao decoction for treating acute gouty arthritis

Objective:To Find the core targets and drug action mechanism of Si Miao decoction for the treatment of acute gouty arthritis.Methods:Through the TCMSP database,the chemical composition of all the drugs in Si Miao decoction was obtained.The Perl script was compiled and the UniProt database was searched to determine the corresponding target of the chemical composition.Then,the disease databases such as OMIM,DisGeNET,and GeneCards were searched in order to determine acute gouty arthritis Related targets.Finally,screen common targets for drugs and diseases,use the STRING database and Cytoscape software to build a network control map of drugs-chemical components-targets-disease.Use R language software to screen common targets and find the four best The core targets of San for the treatment of acute gouty arthritis.The GO and KEGG analysis of the core targets were performed to clarify the core targets and mechanism of Si Miao decoction for the treatment of gout.Results:There are 64 effective chemical components in Si Miao decoction,197 genetic targets,600 disease targets,and 58 common targets.It is predicted that IL6,VEGFA,IL1B,JUN,PTGS2,and CCL2 may be treated by Si Miao decoction for gout The core target of arthritis.GO enrichment analysis identified 85 entries,of which biological processes mainly included the regulation of cytokine activity,protease activation,nucleic acid expression,etc.;KEGG pathway enrichment analysis identified 135 signaling pathways,of which signaling pathways involved the IL-17 signaling pathway,TNF signaling pathway,Th17 cell differentiation and other pathways.Conclusion:Si Miao decoction acts on acute gouty arthritis by regulating the occurrence of inflammation,and has significant anti-inflammatory and immune effects.The formula is rigorous and scientific,and it is worthy of clinical application.

Molecular mechanisms of Baihedihuang decoction as a treatment for breast cancer related anxiety:A network pharmacology and molecular docking study

BACKGROUND The therapeutic effects of a combination of Chinese medicines called Baihedihuang decoction(BD)have been clinically verified,although its molecular targets in breast cancer related anxiety remain unknown.AIM To explore the molecular mechanisms of BD for breast cancer related anxiety treatment.METHODS We used the Traditional Chinese Medicine Systems Pharmacology database to screen the active ingredients and potential targets of BD,and constructed the"drug-ingredient-target"network map with the help of Cytoscape 3.8 software.Also,we used the Online Mendelian Inheritance in Man,DrugBank,and Gencards databases to collect the disease targets of breast cancer related anxiety,and used the STRING platform to perform protein interaction analysis and construct the protein-protein interaction network.Metascape platform was used for Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis of key targets.Molecular docking technology was used to verify the drug component/target disease network.RESULTS We screened 16 active ingredients of BD for breast cancer related anxiety,with 113 target proteins.There are 931 disease targets of breast cancer related anxiety,and finally,43 key targets and 305 Kyoto Encyclopedia of Genes and Genomes pathways were generated.The main active ingredients of BD for breast cancer related anxiety are verbascoside,β-sitosterol,stigmasterol,catalpol,etc.CDK2,TP53,HTR2A,ESR1,etc.are its key targets,and the main involved signaling pathways may include neuroactive ligand-receptor interaction pathway,5-hydroxytryptaminergic synapse,P53 signaling pathway,cGMP-PKG signaling pathway,the cAMP signaling pathway,etc.Finally,molecular docking was performed with Vina software to validate the key active ingredients in BD with the selected key action targets.The molecular docking results showed that verbascoside,β-sitosterol,stigmasterol and CDK2 could stably bind and interact through amino acid residues SER249,ARG260,PRO228,ALA282,SER276,LYS273,ASN272,etc.CONCLUSION The therapeutic effect of BD for breast cancer related anxiety is multi-level,multi-target,and multi-pathway.The findings of this study provide ideas and basis for further research.

基于UPLC-Q-TOF-MS技术和网络药理学人参黄精杏麦饮化学成分群的抗疲劳作用研究

目的采用超高液相色谱-四极杆飞行时间串联质谱(UPLC-Q-TOF-MS)技术与网络药理学探讨人参黄精杏麦饮抗疲劳的药效物质及作用机制。方法通过UPLC-Q-TOF-MS技术鉴定人参黄精杏麦饮化学成分,并利用TCMSP、Swiss Target Prediction数据库预测化学成分相关靶点;利用Disgenet、Genecards数据库检索疲劳靶点,利用韦恩图绘制平台获取共有靶点,并将信息导入Cytoscope3.7.1软件和STRING在线分析平台,进行网络拓扑学分析,构建药物-活性成分-关键靶点网络。最后,通过DAVID数据库进行基因本体论(gene ontology,GO)和京都基因与基因组百科全书(Kyoto encyclopedia of genes and gnomes,KEGG)通路富集分析。结果通过UPLC-Q-TOF-MS分析鉴定出35个药物活性成分,主要为黄酮类;对药物和疾病靶标集进行拓扑分析,获得14个关键成分和39个核心靶点;通过KEGG富集到癌症、流体剪切应力与动脉粥样硬化通路、PI3K-Akt、脂质与动脉粥样硬化和糖尿病并发症中的AGE-RAGE等信号通路。结论人参黄精杏麦饮的活性成分通过作用于丝氨酸/苏氨酸蛋白激酶1、磷酸甘油醛脱氢酶、白细胞介素-6、肿瘤坏死因子等靶标改善机体氧化应激反应、减轻免疫介导的炎症和感染以及调控细胞增殖、分化、凋亡等多种细胞功能发挥抗疲劳作用,初步阐明人参黄精杏麦饮抗疲劳的作用,为后续深入研究提供参考。

Network pharmacology and experimental validation to reveal the anti-hepatitis B virus pharmacological mechanism of Phyllanthus urinaria L.

Background:To explore the pharmacological mechanism of the anti-hepatitis B virus of Phyllanthus urinaria L.through network pharmacological analysis and experimental validation.Method:The active ingredient,target of action and target of action related to hepatitis B were clarified by searching the herb group identification,GeneCards and OMIM databases,and the protein interaction relationship was obtained by using the String database,and the protein interaction network map was constructed by using Cytoscape software.We also performed gene ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis of key targets of the anti-hepatitis B action of Phyllanthus urinaria L.and predicted the core targets and pathways of Phyllanthus urinaria L.anti-hepatitis B.The main targets predicted by network pharmacology were then validated by HepG2.2.15 cell experiments.Results:By searching active ingredient targets and hepatitis B disease targets,a total of 19 active ingredients and 64 related targets of action were retrieved from Phyllanthus urinaria L.,and a total of 51 common targets were obtained by mapping the obtained hepatitis B disease targets and drug targets.protein protein interaction network analysis indicated that targets including TNF,JUN,AKT1,IL-10,IL-1B,CAT,HMOX1,NFE2L2,and CASP3 and other targets may be the core targets.gene ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis showed that the treatment of hepatitis B by Phyllanthus urinaria L.mainly included inflammation and oxidation-related processes,and the signaling pathways mainly included fluid shear stress and atherosclerosis,VEGF,and hepatocellular carcinoma.The results of the in vitro test showed that after the action of different concentrations of the extracts of the Phyllanthus urinaria L.in the safe concentration range on cells HepG2.2.15,HBsAg,HBeAg and hepatitis B virus DNA levels were significantly inhibited,and NFE2L2 and HMOX1 were affecting hepatitis B virus transcription and replication by regulating the oxidative stress response.Conclusion:Using an integrated network pharmacology approach,this study revealed the active components and potential targets of Phyllanthus urinaria L.for the treatment of the hepatitis B virus,providing a theoretical basis for the research and clinical application of Phyllanthus urinaria L..

Exploring Action Mechanism of Sanzi Yangqin Decoction in Treating Bronchial Asthma Based on Network Pharmacology and Molecular Docking

[Objectives]To explore the molecular mechanism of Sanzi Yangqin Decoction in the treatment of bronchial asthma based on network pharmacology and molecular docking.[Methods]The components of Fructus Perillae,Semen Raphani and Semen Sinapis three traditional Chinese medicine-related components and targets of Feiduqing Sanzi Yangqin Decoction were obtained using Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and the targets of bronchial asthma were obtained using Genecards and OMIM databases.Sanzi Yangqin Decoction"drug-active ingredient-target-disease"network was established with the aid of Cytoscape 3.7.2 software and network topology analysis was carried out.The gene ontology(GO)function enrichment analysis and the KEGG pathway enrichment analysis were performed by DAVID.The top 3 components and targets in the network topology analysis were respectively molecularly docked.[Results]Through network analysis,4 key active components were obtained,mainly luteolin,arachidonic acid,β-carotene,etc.;5 key targets,mainly NCOA2,PGR,PTGS2,etc.Through GO analysis,523 items(P<0.05)were obtained,including 396 items in biological process(BP),53 items in cell composition(CC),and 74 items in molecular function(MF).KEGG analysis generated 144 signal pathways(P<0.05),involving PI3K-Akt signal pathway,human cytomegalovirus infection,Kaposi's sarcoma-associated herpes virus infection,proteoglycans in cancer,prostate cancer,etc.The results of molecular docking showed that core active compounds such as luteolin andβ-carotene in Sanzi Yangqin Decoction had good affinity with NCOA2,PGR,PTGS2 and other target genes,which were similar to clinically recommended chemical drugs.[Conclusions]The active compounds luteolin and carotene in Sanzi Yangqin Decoction may mainly bind to targets such as NCOA2,PGR,PTGS2,and regulate multiple signaling pathways such as PI3K-Akt to play a role in treating bronchial asthma.It is intended to provide new ideas for the clinical application and research of Sanzi Yangqin Decoction.

Network Pharmacology-based Analysis of the Mechanism of Action of the Herb Pair Chai Hu-Bai Shao

Objective To analyze the mechanism of action and compatibility of the active compounds of the traditional herb pair Bupleuri Radix(Chai Hu,CH,柴胡)-Paeoniae Radix Alba(Bai Shao,BS,白芍).Methods All chemical compounds related to CH and BS were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),Traditional Chinese Medicine Integrated Database(TCMID),Bioinformatics Analysis Tool for Molecular mechANism of Traditional Chinese Medicine(Batman-TCM),Traditional Chinese Medicine Database@Taiwan(TCM Database@Taiwan),and the literature.Relevant compounds were screened for oral bioavailability(OB),drug-likeness(DL),and the Caco-2 cell model.The Uniprot,Genecard,and CTD databases were used to obtain information on potential targets and diseases of associated compounds.Based on this,Cytoscape 3.2.1 software,GO enrichment analysis,and KEGG pathway enrichment were used to analyze the potential mechanism of action and pathways of the CH-BS drug combination.Results A total of 23 active compounds of CH and BS were indentified after meeting specific criteria by network pharmacology,showing 79 predicted targets of active compounds.Among them,all targets were associated with 344 diseases,and the compounds in CH and BS were connected to 94 pathways and biological,such as calcium signaling pathway,neuroactive ligand-receptor interaction and TNF signaling pathway.Conclusions Our results preliminarily validated the main compounds in CH-BS herb pair interacted with multiple targets in different diseases,and the molecular mechanism of these compounds involves multiple pathways,thereby establishing a good foundation for further studies.

基于HPLC-Q-TOF-MS/MS和网络药理学探讨温肾宣痹汤治疗膝骨关节炎的作用机制

目的:基于高效液相-四极杆串联飞行时间质谱(HPLC-Q-TOF-MS/MS)分析温肾宣痹汤有效成分,并运用网络药理学探究温肾宣痹汤治疗膝骨关节炎(KOA)的作用靶点及通路,探讨其治疗膝骨关节炎的作用机制。方法:采用HPLC-Q-TOF-MS/MS分析温肾宣痹汤中化学成分。检索TCMSP V2.0获得温肾宣痹汤的活性成分;运用TCMSP数据库筛选活性成分靶点,利用Uniprot数据库对靶点进行标准化命名;通过“GeneCards”等数据库,查询膝骨关节炎相关靶点;利用VennDiagram得到“中药化合物疾病”共同靶点。应用STRING数据库和Cytoscape软件构建蛋白-蛋白相互作用网络图。筛选核心作用靶点,进行基因本体论(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析。结果:在温肾宣痹汤的正、负离子模式下采用液质联用综合分析,共鉴定出24种化合物,分别归属于狗脊、附子、天麻、山萸肉、细辛、白术、木香、甘草。筛选出温肾宣痹汤181个活性成分和134个相应蛋白靶点,与膝骨关节炎的2171个疾病相关靶点相交集的核心靶点为72个。GO富集分析共筛选得到76条生物过程(BP)富集结果、12条细胞组成(CC)富集结果及29条分子功能(MF)富集结果。KEGG富集分析共筛选得到相关通路共27条。结论:温肾宣痹汤可以通过抗炎、免疫调节、抗血管生成、抗氧化等作用,发挥治疗膝骨关节炎的功效。

Molecular targets and mechanisms of Jiawei Jiaotai Pill on diabetic cardiomyopathy based on network pharmacology

BACKGROUND Jiawei Jiaotai Pill is commonly used in clinical practice to reduce apoptosis,increase insulin secretion,and improve blood glucose tolerance.However,its mechanism of action in the treatment of diabetic cardiomyopathy(DCM)remains unclear,hindering research efforts aimed at developing drugs specifically for the treatment of DCM.AIM To explore the pharmacodynamic basis and molecular mechanism of Jiawei Jiaotai Pill in DCM treatment.METHODS We explored various databases and software,including the Traditional Chinese Medicine Systems Pharmacology Database,Uniport,PubChem,GenCards,String,and Cytoscape,to identify the active components and targets of Jiawei Jiaotai Pill,and the disease targets in DCM.Protein-protein interaction network,gene ontology,and Kyoto Encyclopedia of Genes and Genomes analyses were used to determine the mechanism of action of Jiawei Jiaotai Pill in treating DCM.Molecular docking of key active components and core targets was verified using AutoDock software.RESULTS Total 42 active ingredients and 142 potential targets of Jiawei Jiaotai Pill were identified.There were 100 common targets between the DCM and Jiawei Jiaotai Pills.Through this screening process,TNF,IL6,TP53,EGFR,INS,and other important targets were identified.These targets are mainly involved in the positive regulation of the mitogen-activated protein kinase(MAPK)MAPK cascade,response to xenobiotic stimuli,response to hypoxia,positive regulation of gene expression,positive regulation of cell proliferation,negative regulation of the apoptotic process,and other biological processes.It was mainly enriched in the AGE-RAGE signaling pathway in diabetic complications,DCM,PI3K-Akt,interleukin-17,and MAPK signaling pathways.Molecular docking results showed that Jiawei Jiaotai Pill's active ingredients had good docking activity with DCM's core target.CONCLUSION The active components of Jiawei Jiaotai Pill may play a role in the treatment of DCM by reducing oxidative stress,cardiomyocyte apoptosis and fibrosis,and maintaining metabolic homeostasis.

Action mechanism of Yiqi Hexue Formula in the treatment of liver cirrhosis based on network pharmacology and experimental verification

Objective:To study the mechanism of Yiqi Hexue Formula in the treatment of liver cirrhosis based on network pharmacology and experimental verification.Methods:Firstly,the effective components and action targets of various traditional Chinese medicines in Yiqi Hexue Formula were searched from TCMSP and BATMAN-TCM databases.The disease target genes were obtained by using GeneCard,PharmGkb,OMIM,DrugBank and TTD databases.The potential target genes of drugs and disease target genes were intersected,and the Venn diagram was drawn.The"active ingredient-core target"network was constructed by Cytoscape software,and the KEGG pathway of the intersection genes was analyzed by R software.Animal experiments were conducted to observe the effect of Yiqi Hexue Formula on histopathology of CCl4-induced liver cirrhosis model rats,determine the expression levels of JAK2 and STAT3 mRNA in liver tissue,and preliminarily explore the mechanism of Yiqi Hexue Formula in the treatment of liver cirrhosis.Results:A total of 43 active components and 648 targets of Yiqi Hexue Formula for the treatment of liver cirrhosis were screened through the database.KEGG pathway analysis showed that Yiqi Hexue Formula mainly affected PI3K/Akt,MAPK,IL-17 and JAK/STAT signaling pathway.Animal experimental research showed that compared with the model group,the degree of inflammation and fibrosis in liver tissue of rats treated with Yiqi Hexue Formula was significantly improved;The expression of JAK2 and STAT3 mRNA decreased significantly in the treatment group of Yiqi Hexue Formula(P<0.05).Conclusion:Yiqi Hexue Formula can treat liver cirrhosis through multiple components,multiple targets and multiple pathways.JAK2/STAT3 signaling pathway is involved in the formation of liver cirrhosis.Yiqi Hexue Formula can improve the pathological manifestations of cirrhotic rats.Its mechanism may be related to inhibiting the transmission of JAK2/STAT3 signaling pathway.

Potential Action Mechanism of Baicalin on COVID-19 Based on Network Pharmacology

[Objectives]To collect the main active components and targets of baicalein,and to explore the relationship between their targets and COVID-19 and the treatment mechanism of potential unknown targets.[Methods]The 2D and 3D structures of baicalein(CAS:491-67-8)were obtained by searching Pubchem.The predicted target of baicalein was obtained through the Pharmapper website,and the species specific target was obtained by SEA search server.The COVID-19 related genes were obtained in Genecards and OMIM.The Draw Venny Diagram online program was used to establish the visualized network map of“drug-disease-target”with baicalein monomer target and disease common target and Cytoscape(3.7.2)software.The COVID-19 gene was constructed by using Cytoscape plug-in Bisogenet,and protein-protein interaction(PPI)network was constructed by using the baicalein COVID-19 gene.The CytoNCA topology was used to analyze the network topology and construct the core network.The core network genes were analyzed by GO and KEGG.[Results]Through screening,a total of 358 effective target genes of baicalein,23 common targets of baicalein-COVID-19,and 80 genes of PPI core network were obtained.The total of 1648 GO biological processes including DNA metabolism,positive regulation,intracellular receptor signaling pathway,transforming growth factorβreceptor signaling pathway,regulation of apoptotic signaling pathway,RNA polymerase II transcription factor binding,and 115 KEGG-related signaling pathways involving cell cycle pathways,viral oncogenic pathways,Hepatitis B pathway,Hepatitis C pathway,PI3K-Akt pathway,and ubiquitin-mediated proteolysis,etc.[Conclusions]The effect of baicalein on COVID-19 reflects the characteristics of multiple targets,and it can also regulate the occurrence and development of COVID-19 through various channels.This study is expected to provide a certain basis for subsequent experiments.

Effect of Sini Decoction plus Ginseng on COVID-19 based on network pharmacological analysis

Objective:To explore the effect of Sini Decoction plus Ginseng on COVID-19 based on network pharmacological analysis.Methods:TCMSP platform was used to search the compounds of Sini Decoction plus Ginseng with oral bioavailability(OB)≥30%and drug-likeness(DL)≥0.18,and the results were input into the UniProt database and converted into standard target names;Genecards and OMIM database were used to find COVID-19 target,and the intersection targets were obtained and Venn diagram was drawn.Cytoscape 3.7.2 was applied to make the network diagram of composition-disease-target;The interaction database platform-String was used to analyze the target protein interaction,and the data were input into the software of Cytoscape 3.7.2 to make the network diagram;David database was used to analyze the accumulation of Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)signaling pathways of drug-disease intersection targets.The component target pathway network was constructed by using Cytoscape 3.7.2.Results:Altogether,112 active components of Sini Decoction plus Ginseng were screened,corresponding to 234 targets.Besides,261 COVID-19 targets were obtained after screening,and the Venn map showed that 50 targets were intersected.Quercetin,kaempferol,naringenin,andβ-sitosterol were found to have higher moderate values shown by the component-disease-target network.The target proteins with high PPI network analysis value were IL-6,MAPK8,MAPK3,MAPK1,TP53,TNF,and CASP3.GO enrichment function analysis showed that 341 biological processes,33 cell components,and 50 molecular functions were involved,which showed inflammatory reaction,cell response to lipopolysaccharide,exogenous apoptosis signal pathway,positive regulation of RNA polymeraseⅡpromoter transcription,cytokine activity,chemokine activity,heme binding,and other biological processes.KEGG signaling pathway enrichment function analysisshowed that there were 112 signaling pathways.It included TNF signaling pathway,tuberculosis,influenza A,PI3K Akt signaling pathway,HIF-1 signaling pathway,and Toll-like receptor signaling pathway.According to the component-target-pathway network diagram,quercetin,kaempferol,naringenin,andβ-sitosterol in Sini Decoction plus Ginseng may act on IL-6,MAPK8,MAPK3,MAPK1,TP53,TNF,CASP3,and other targets through TNF signaling pathway,MAPK signaling pathway,Tolllike receptor signaling pathway,PI3K-Akt signaling pathway,and HIF-1 signaling pathway.Conclusion:Sini Decoction plus Ginseng can affect COVID-19 through multiple active components,multiple targets,and multiple pathways.

Mechanisms of Huanglian Jiedu Decoction in treating coronary heart disease and type 2 diabetes mellitus based on network pharmacology

Objective:To explore the common mechanism of Huanglian Jiedu Decoction in treating coronary heart disease and type 2 diabetes by network pharmacology.Methods:All chemical components and targets of the four drugs in Huanglian Jiedu Decoction were retrieved through TCMSP,and the genes were standardized through Uniprot database.Acquire disease targets related to coronary heart disease and diabetes in OMIM and GeneCards databases.The network diagram of"drug-component-target-disease"is constructed by using the software of cytopscape 3.7.2,the PPI network diagram of protein interaction is constructed by using STRING database,and the network diagram of"drug-disease"core target is constructed by using the software of cytopscape 3.7.2.DAVID's online database platform was used to analyze GO biological process and KEGG pathway enrichment of common targets of Huanglian Jiedu Decoction in treating coronary heart disease and type 2 diabetes.Results:103 active ingredients of Huanglian Jiedu Decoction were retrieved,including 140 acting targets,5342 coronary heart disease targets,114 diabetes targets,and 14 common intersection targets of drugs and diseases,involving AR,PPARG,TNF,IL6,CCL2,VEGFA,PON1,etc.The GO biological process analysis results in 98 biological processes,10 cell components and 10 molecular functions.Among them are positive regulation of gene expression,positive regulation of nitric oxide biosynthesis process,Extracellular space,cytokine activity,steroid hormone receptor activity and other biological processes;The enrichment analysis of KEGG pathway yielded 20 signal pathways(P≤0.05).It mainly involves Malaria,cancer in cancer,HIF-1 signaling pathway,TNF signaling pathway,NOD-like receptor signaling pathway,PI3K-Akt signaling pathway,etc.Conclusion:Huanglian Jiedu Decoction"treats different diseases at the same time"coronary heart disease and type 2 diabetes have the characteristics of multiple components,multiple targets and multiple pathways,which provide theoretical basis for Huanglian Jiedu Decoction to treat coronary heart disease and type 2 diabetes in clinic,but the key targets and pathways of Huanglian Jiedu Decoction to treat diseases still need further experimental verification.

Analysis of compatibility rules and mechanisms of traditional Chinese medicine for preventing and treating postoperative recurrence of bladder cancer

Backgroud:Summarize the formula rule of traditional Chinese medicine fOr preventing and treating bladder cancer recurrence after operation and explore the molecular mechanism of core medicines.Methods:Literatures collected from CNKI,Wanfang Med Online,CMJD,PUBMED and Elsiver databases were as prescription sources,and association rules and complex system entropy clustering analysis were carried out using the Traditional Chinese Medicine Inheritance Support System(TCMISSV2.5).BATMAN-TCM online analysis tool was used to construct target-pathway-disease correlation map to reveal the potential mechanism of action.Results:A total of 122 prescriptions were eligible for data analysis.The high-frequency traditional Chinese medicines are Poria,Radix et Rhizoma Rhei,Radix Astragali,Herba Hedyotidis Diffusae and Rhizoma Atractylodis Macrocephalae.The high-frequency drug pairs are Rhizoma Atractylodis MacrocephalaeIPoria,Poria/Rhizoma Alismatis,Radix Astragali/Rhizoma Atractylodis Macrocephalaeand and Herba Hedyotidis Diffusae/Herba Scutellariae Darbatae..There are 5 groups of drug pairs with high correlation strength.Cluster analysis shows 6 core drug combinations and 3 new prescriptions.In clinical practice,the core compatibility of traditional Chinese medicines for preventing postoperative recurrence of bladder cancer is Poria,Radix Astragali and Herba Hedyotidis Diffusae.The possible signaling pathways are the neuroactive ligand receptor interaction signaling pathway and calcium signaling pathway.Conclusion:Prevention and treatment of postoperative recurrence of bladder cancer mainly use medicines with effects of eliminating dampness and diuresis for removing edema,heat-clearing and detoxifying,and qi-invigorating.The potential mechanism of the compatibility of core drugs may be realized by interfering with the signal pathway of neuroactive ligand receptor interaction and calcium signal pathway.