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Objective:To deeply explore the potential mechanism of Kangmin Zhisou Granules in the treatment of bronchial asthma through network pharmacology method; To verify it with animal experiments.Methods:The active components and corresponding target information of Kangmin Zhisou Granules were screened with the help of BATMAN-TCM database, and the related disease targets of bronchial asthma were obtained through GeneCards and OMIM databases. The drug targets and bronchial asthma targets were intersected and imported String database was used to establish PPI network. Cytoscape 3.9.1 software was used to draw the network diagram of "Chinese materia medica-active components-intersection targets" and the core targets were screened. GO and KEGG enrichment analysis was performed on the core targets using DAVID database. A mouse model of asthma induced by ovalbumin was prepared. After the intervention of Kangmin Zhisou Granules, the pathological changes of mouse lung tissue were observed, and the contents of serum TNF-α, IL-6, IL-1 β were detected by ELISA.Results:Totally 240 active components and 1 364 potential targets were obtained from Kangmin Zhisou Granules. Tumor necrosis factor (TNF), interleukin-6 (IL-6), protein kinase B (AKT1), albumin (ALB), interleukin 1-beta (IL-1β) and other 11 core targets were obtained after screening. The results of GO enrichment analysis showed that the treatment of bronchial asthma by Kangmin Zhisou Granules mainly involved the positive regulation of protein phosphorylation, the regulation of inflammatory response, lipopolysaccharide response and other biological processes, as well as TNF, activated protein kinase (MAPK), interleukin-17 (IL-17) and other signaling pathways. Animal experiments confirmed that Kangmin Zhisou Granules could reduce the expression levels of TNF-α, IL-6 and IL-1β in serum ( P<0.05), and reduce the infiltration of inflammatory cells in the lung tissue of mice, thereby relieving asthma symptoms. Conclusion:Kangmin Zhisou Granules may exert anti-inflammatory effects by acting on TNF-α, IL-6, IL-1β and other targets to alleviate asthma symptoms.
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Objective:To analyze and explore the possible mechanism of anti-tumor metastasis of Notoginseng Radix et Rhizoma using Internet pharmacology. Methods:The active components and targets of Notoginseng Radix et Rhizoma were screened by retrieving Chinese Medicine System Pharmacology Database and Analysis Platform (TCMSP). GeneCards database was used to screen the anti-tumor metastasis-related targets, and compounds and disease targets were under mapping analysis. Key targets of Notoginseng Radix et Rhizoma for anti-tumor metastasis were screened through Venn map. With the help of Cytoscape 3.7.2 software, a compound-disease network diagram was constructed. String platform was used to build a PPI network. Bioconductor was used to enrich the target genes for KEGG signaling pathway and GO biological process analysis. Results:Totally 119 active components were selected from Notoginseng Radix et Rhizoma. There were 8 eligible active components, corresponding to 162 related targets, 121 targets related to anti-tumor metastasis, and 30 key targets screened by PPI network, including AKT1, MAPK1, JUN, RELA, IL6, etc. GO enrichment analysis mainly involved biological processes such as cytokine receptor binding, heme binding, RNA polymerase Ⅱ transcription factor binding, ubiquitin protein ligase binding, and steroid hormone receptor activity. 149 signal pathways related to Notoginseng Radix et Rhizoma anti-tumor metastasis were obtained by KEGG enrichment analysis, mainly involving multiple signal pathways, such as AGE-RAGE and PI3K-Akt, and hepatitis B, Kaposi's sarcoma-associated herpes virus infection, human cytomegalovirus infection and other viral infections and various tumors. Conclusion:Notoginseng Radix et Rhizoma can pass multiple active components, such as ginsenoside f2, ginsenoside rh2 β-, sitosterol, stigmasterol and quercetin, and multiple targets, such as AKT1, MAPK1, JUN, RELA and IL6, acting on multiple pathways such as PI3K-Akt, thereby playing the role of anti-tumor metastasis.
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Objective:To explore the mechanism of Kechuan'an Oral Liquid in treating asthma based on network pharmacology; To carry out experimental verification.Methods:The effective components and targets of Kechuan'an Oral Liquid were obtained through TCMSP and literature search. The related targets of asthma were screened by GEO database, and the intersection targets of drug and disease were selected. The PPI network was constructed by STRING database, and the GO function and KEGG pathway were enriched and analyzed for key targets by DAVID database. The rats were divided into blank control group, model group and Kechuan'an Oral Liquid group according to the method of random number table. Kechuan'an Oral Liquid group received Kechuan'an Oral Liquid 12.34 ml/kg for gavage, and blank control group and model group were perfused with distilled water of the same volume for gavage, once a day for 3 days. The asthma model of rats was prepared by atomizing the mixture of acetylcholine chloride and histamine phosphate, and HE staining was used to observe the pathological changes of lung tissue; Western blot was used to detect the protein expressions of IL-6, TLR4, MyD88 and TAK1, and the network pharmacological prediction results were verified.Results:A total of 153 active components, 1 896 targets and 2 982 differentially expressed genes of Kechuan'an Oral Liquid were screened out, and 25 intersection targets of drugs and diseases were obtained. The enrichment results showed that toll-like receptor signaling pathway, TNF signaling pathway and Nod-like receptor signaling pathway were the main mechanisms of immune inflammation. Compared with the control group, the lung tissue of rats in the model group showed morphological changes such as thickening of air duct wall and infiltration of inflammatory cells, which were significantly improved in the Kechuan'an Oral Liquid group. Compared with the control group, the expressions of IL-6, TLR4, MyD88 and TAK1 in the model group significantly increased ( P<0.01), and compared with model group, the expressions of IL-6, TLR4, MyD88 and TAK1 in Kechuan'an Oral Liquid group significantly decreased ( P<0.05 or P<0.01). Conclusion:Kechuan'an Oral Liquid can inhibit toll-like receptor signaling pathway and mediate anti-inflammatory effect to treat asthma.
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Objective:To study the mechanism of Herba Hedyotidis against liver fibrosis based on network pharmacology. Methods:Based on TCMSP database and Uniprot database, the effective components and target genes of Herba Hedyotidis were screened. Target genes of liver fibrosis were screened by GeneCards and OMIM database, and the "disease-component-target" network map was constructed by Cytoscape 3.8.2 software. Protein interaction network was constructed by STRING database, and the Cytoscape 3.8.2 software was used to screen the core target out. The core targets were analyzed by gene ontology (GO) enrichment and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment. Experimental verification was performed to the analysis results. A hepatic fibrosis model was established by intraperitioneal imjection of 40% carbon tetrachloride oil solution in rats that were then divided into the model control group and the Herba Hedyotidis group by randomized number table table, with 10 rats in each group. Ten normal rats were used as the normal control group. The Herba Hedyotidis group were injected 2.7 g/kg herb aqueous extract by intragastric administration, once a day, for 4 weeks; and the normal and model control group were given the same volume distilled water for gavage. The serum GPT, GOT, Alb and liver pathologic changes were observed. The serum expressions of IL-6, IL-1β and TGF-β1 were detected by ELISA. The expressions of PI3K, Akt, HIF-1α and VEGF were detected by Western blot. Results:5 effective components and 118 targets of Herba Hedyotidis in the treatment of hepatic fibrosis were obtained. Stigmasterol, β-sitosterol and quercetin were the most effective components with high moderate value. The moderate targets were VEGF, EGFR, HIF-1α and IL-6. The core genes of PPI network were HIF-1α, IL-6, etc. GO enrichment analysis showed that RNA transcription, protein binding and other processes may be affected. KEGG pathway enrichment analysis showed that significant enrichment pathways were cancer pathway, hepatitis B pathway, PI3K/Akt, HIF pathway and so on. Animal experimental results showed that compared with model group, liver histopathology was improved significantly, the content of GPT, GOT, IL-6, IL-1β and TGF-β1 decreased ( P<0.01), the content of Alb increased ( P<0.01), and the protein expressions of PI3K, Akt, HIF-1α and VEGF in liver tissue were down-regulated ( P<0.01). Conclusion:The Herba Hedyotidis exerts functions of anti-hepatic fibrosis through acting on the targets of VEGF, EGFR, HIF-1α and IL-6, regulating the PI3K/Akt, HIF-1 pathways, and has anti-inflammatory, anti-angiogenesis, anti-tumor and other biological functions.
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Objective:To explore the molecular mechanism of Danggui Niantong Decoction in the treatment of gouty arthritis (GA) based on network pharmacology and molecular docking.Methods:By selecting for the active components and targets of Danggui Niantong Decoction with TCMSP, and retrieving the GeneCards, OMIM, PharmGKB and DrugBank databases to obtain GA related targets. The potential targets of Danggui Niantong Decoction in the treatment of GA were obtained by the intersection of mappings. The regulation network of Chinese medicine compound and protein-protein interaction network of Danggui Niantong Decoction were constructed by Cytoscape software, and the targets of Danggui Niantong Decoction in the treatment of GA were analyzed by GO and KEGG enrichment by David Database. Finally, molecular docking was performed by using Autodock software.Results:There are 198 active components that could treat GA in Danggui Niantong Decoction. The key active components are Quercetin and Kaempferol. There are 46 key targets, the core targets are NFE2L2, HMOX1, PPARA, PTGS2, IL1β, CXCL8. GO enrichment suggests that the key genes are primarily involved in many biological processes such as Inflammatory response regulation, response to oxidative stress, Fatty acid metabolism process, steroid metabolism, lipopolysaccharide response and reactive oxygen species metabolism. KEGG pathway indicates that Danggui Niantong Decoction mainly acted on IL-17 signal pathway, HIF-1 signal pathway, TNF signal pathway and AGE-RAGE signal pathway. Molecular docking shows that the active components of Danggui Niantong Decoction and action target of GA can combine toghether with high efficiency, and the structure is stable.Conclusion:Danggui Niantong Decoction has multi-component, multi pathway and multi-protein characteristics. Danggui Niantong Decoction can treat GA by regulating immune inflammatory reaction and oxidative stress reaction.
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Objective:Based on network pharmacology and molecular docking to explore the targets and mechanism of Xiaoyong Sanjie Formula treating Non-Puerperal Mastitis (NPM).Methods:By retrieving the active components and the corresponding target information of each component in Xiaoyong Sanjie Formula with Pharmacology Database and Analysis Platform of Chinese Medicine System (TCMSP), and NPM-related genes in database like GeneCard, OMIM, PharmGkb, TTD, and DrugBank, the data of the core targets of Xiaoyong Sanjie Formula and disease-related genes was compared to obtain intersecting genes, and the STRING database was used to analyze the protein interaction network and find the core genes. With the help of Cytoscape 3.8.0, the active ingredient-target-pathway regulation network diagram of Xiaoyong Sanjie Formula for the treatment of NPM was established. The R language pack was used to enrich the targets with GO function and KEGG pathway enrichment, and the potential targets and mechanism of Xiaoyong Sanjie Formula in the treatment of NPM were explored. Finally, molecular docking verification was carried out to analyze the effecacy of key components and potential core targets of Xiaoyong Sanjie Formula.Results:Network pharmacological analysis showed that there were 47 active component and 1 692 NPM-related potential targets in Xiaoyong Sanjie Formula, and 235 core targets of NPM in the treatment of Xiaoyong Sanjie Formula. The key components of Xiaoyong Sanjie Formula in the treatment of NPM include Quercetin, Naringenin, Kaempferol, Diosgenin, Luteolin, etc., with the core targets of intercellular adhesion molecule-1 (ICAM-1), vascular endothelial growth factor (VEGFA), tumor necrosis factor (TNF), interleukin-6 (IL-6), Epidermal growth factor receptor (EGFR), interleukin-1β (IL-1B), chemokine-8 (CXCL8), chemokine-2 (CCL2), etc. GO enrichment obtained 1 492 biological process entries. The KEGG pathway is enriched to obtain 105 pathways, including the TNF signaling pathway, the PI3K-Akt signaling pathway, the NF-kappa B signaling pathway, and the JAK-STAT signaling pathway, IL-17 signaling pathway, C-type lectin receptor signaling pathway, etc. The final molecular docking verified that the key active ingredients of Xiaoyong Sanjie Formula could bind with the potential core targets closely.Conclusion:Xiaoyong Sanjie Formula can treat NPM with multi-component, multi-target characteristics,which plays a role of treating NPM through signaling pathways such as immuno-inflammatory response, the metabolism of the medicine, cellular adaptive stress response, and vascular function regulation.
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Objective:To explore the mechanism of the active compounds in Banxia Houpo Decoction treating tension type headache through network pharmacology and molecular docking.Methods:The potentially effective components and targets of Banxia Houpo Decoction were screened by TCMSP, and the action targets of tension type headache were obtained by GeneCards, PharmGKB, TTD, Drugbank and OMIM. The intersection target of "Banxia Houpo Decoction - tension type headache" was obtained by Perl software. The protein interaction network was uploaded to STRING database and topological analysis was carried out. With the help of Cytoscape 3.8.0 software, the visualization network of "Banxia Houpo Decoction - medicine ingredient-Target-tension type headache" was constructed, and the GO enrichment analysis and KEGG pathway enrichment analysis of the intersection targets were carried out by using R 4.1.0 language and related programs. The AutoDockTools-1.5.6 software was used to complete the molecular docking analysis.Results:There were 33 intersection targets in Banxia Houpo Decoction and tension type headache. Topological attribute analysis suggested that MAPK1, TP53, ESR1, PTGS2, MYC, CYP1A2, CYP3A4 and GSTP1 might be important potential targets of Banxia Houpo Decoction in the prevention and treatment of tension type headache. GO enrichment analysis showed 516 cell biological processes (BP), 62 cell components (CC) and 149 molecular functions (MF). KEGG pathway enrichment analysis showed that there were 94 related signal pathways, such as cGMP-PKG signaling pathway, Cholinergicsynapse, Serotonergic synapse and TNF signaling pathway.Conclusions:Banxia Houpo Decoction has multi-component, multi-target and multi-pathway characteristics in the prevention and treatment of tension-type headache. It mainly acts on 5-HT synaptic pathway, TNF signal pathway, cholinergic synaptic pathway, G protein coupled receptor pathway and other pathways through ESR1, TP53, PGTS2 and other multi target.
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Objective:To explore the ingredients, targets, and mechanisms of Hanchuan Zupa Granules in the treatiment of Influenza A virus.Methods:By using Traditional Chinese Medicine Systems Pharmacology Database Analysis Platform (TCMSP), GeneCards, Online Mendelian Inheritance in Man (OMIM), Pharmacogenomics Knowledgebase (PharmGkb), Therapeutic target database (TTD) and DrugBank database to obtain relevant components and targets of Hanchuan Zupa Granules in the treatment of Influenza A virus; R software was used for the obtain of Hanchuan Zupa Granules -Influenza A virus intersection targets; Cytoscape software was applied for the construction of "Hanchuan Zupa Granules-component-target" network; Protein-protein interaction network (PPI) and topological analysis were constructed by STRING database and Cytoscape software. Intersection targets for gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis were conducted by R software; Auto Dock Tools were used for molecular docking.Results:All together 111 potential active ingredients, with corresponding 131 targetswere identified from Hanchuan Zupa Granules in the treatment of Influenza A virus. Quercetin, apigenin, luteolin, kaempferol, wogonin, etc. are included as core ingredients. STAT3, MAPK1, MAPK3, AKT1, JUN, etc. are included as core targets. Intersection targets were mainly enriched in 178 signal pathways such as IL-17 signal pathway, influenza A signal pathway, TNF signal pathway, etc; Molecular docking showed that core component had a good affinity with the target.Conclusion:Hanchuan Zupa Granules could play the role of anti-Influenza A virus with multi-component-multi-target-multi-pathway,characteristics, and this syudy provide a basis for future experimental research on its mechanism.
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Objective:To discuss the mechanism of Yueju Pill in the treatment of functional dyspepsia (FD) based on network pharmacology and molecular docking.Methods:The chemical components and action targets of Yueju Pill were screened out by TCMSP platform and HERB, BATMAN-TCM database combined with literature were used to supplement effective components of Vietnam bow. The targets of FD were screened out by GeneCards database and OMIM database, and the intersection of the two targets was used to analyze the protein interactions using the STRING platform to construct the PPI network. Metascape platform was used for GO and KEGG pathway enrichment analysis, and Cytoscape 3.7.2 software was used to construct a network of "Yueju Pill components-functional dyspepsia targets-pathways". Online mapping tools were used to obtain the Venn plot of the intersection targets of Yueju Pill, FD and its related pathogenesis. Finally, AutoDock software was used for molecular docking.Results:The main active components of Yueju Pill in the treatment of FD are quercetin, wogonin, luteolin, kaempferol, etc. The main targets are AKT1, MAPK1, JUN, RELA, IL6, BCL2, BAX, MAPK8, EGFR, ESR1, etc. Molecular docking shows that the targets and the active components of the Yueju Pill have better binding abilit. The GO enrichment analysis result shows that there are 2 273 biological processes, 152 molecular functions and 91 cell components. KEGG enrichment analysis shows that there are 344 pathways associated with FD. According to literature review, the pathways related to FD include PI3K-Akt signaling pathway, AGE-RAGE signaling pathway, IL-17 signaling pathway, etc.Conclusion:Yueju Pill might act on AKT1, MAPK1, JUN, RELA, IL6, BCL2, BAX, MAPK8, EGFR, ESR1 and other targets to regulate PI3K-Akt signaling pathway, AGE-RAGE signaling pathways and IL-17 signaling pathway and it could treat FD.
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Objective:To study the mechanism of Tongqi Powder in the treatment of Otitis Media with Effusion based on network pharmacology.Methods:TCMSP platform was used to screen out the effective components and targeted proteins of Tongqi Powder, and UniProt database was used to map the targeted genes of it. The related targets of Otitis Media with Effusion were obtained based on OMIM, DisGeNET, GeneCards and other databases, finding that the common target of Tongqi Powder and Otitis Media with Effusion was the predicted target, Then, a medicine- component-target-disease network was obtained by using Cytoscape software. Repeated targets were imported into the STRING platform to construct a PPI network of protein interactions. Go enrichment analysis and KEGG pathway enrichment analysis were performed on the target of Tongqi Powder by Metascape platform.Results:There were 37 effective components and 211 targets of Tongqi Powder, and the key active components included quercetin, kaempferol, luteolin, β-sitosterol, etc. There were 1 431 disease targets, 76 co-acting targets of Tongqi Powder and Otitis Media with Effusion, and the key targets included TNF, JUN, AKT1, etc. A total of 273 signal pathways were obtained by enrichment analysis.Conclusion:Tongqi Powder could suppress the development of Otitis Media with Effusion through AGE-RAGE, fluid shear stress, atherosclerosis, cancer pathway, IL-17, tumor necrosis factor and other signaling pathways.
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Objective:To analyze the potential mechanism of Qifang Weitong granules in the treatment of gastric cancer based on network pharmacology and molecular docking method.Methods:TCMSP, TCMID, and Swiss Target Prediction databases were used to screen out the chemical components and related targets of Qifang Weitong Granules. GeneCards and OMIM databases were used to screen out the gastric cancer targets to obtain common targets of this disease and Qifang Weitong Granules and upload them to STRING database to form a PPI network, and obtain the key targets and analyze the correlation between the key targets and gastric cancer in Oncomine tumor database. In addition, the regulatory network of gastric cancer and Qifang Weitong Granules was constructed by using Cytoscape software, and the CluoGO plug-in and R language of Cytoscape software were used to perform GO and KEGG enrichment analysis on the key targets. The possibility of the binding between the molecules of this medicine and targeted molecules is verified by molecular docking.Results:There were 168 medicinal chemical components obtained in Qifang Weitong Granules, 2 803 gastric cancer targets, and 49 common targets. In the regulatory network of gastric cancer and Qifang Weitong Granules, β-sitosterol, formononet, stigmasterol have higher values of chemical composition. The key targets in the PPI network are MAPK8, FOS, AR, etc. The GO enrichment analysis focused on the positive regulation of mitochondrial outer membrane permeability in the apoptosis signaling pathway, while the KEGG enrichment analysis is significantly enriched in apoptosis access. The result of molecular docking showed good binding and stable conformation.Conclusion:Qifang Weitong Granules can induce the expression of genes and proteins related to gastric cancer, show its effect by affecting the level of hormones, cell apoptosis and other biological processes, and activating the apoptosis signal pathway.
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Objective:To explore the potential mechanism of Fuzheng Jiedu Decoction created by professor Yu Huiping in the treatment of primary immune thrombocytopenia (ITP) in children based on network pharmacology.Methods:The targets of Fuzheng Jiedu Decoction and ITP were retrieved within SymMap database and TCMID database, and all the common genes in the potential targets of the decoction and ITP were retained. The interaction relationship among the targets was obtained in the String database, and cluster analysis was conducted to obtain the core target group of Fuzheng Jiedu Decoction for ITP. In the David database, the potential KEGG Pathway was obtained through enrichment analysis, the Pathway of non-specific diseases was classified and selected, and a network of "Traditional Chinese Medicine - Target - Pathway" was constructed.Results:There are 500 potential targets for Fuzheng Jiedu Decoction to treat ITP. After Cluster analysis of PPI network, a total of 16 gene clusters were obtained, among which Cluster 1 score was 65.663, making it a potential core target group for Fuzheng Jiedu Decoction to treat ITP. The core enriched target group amounts to 114 pathways, and there were four first-level catalogs which includes Human Diseases (50%), Organismal Systems (25%), Environmental Information Processing (17%), and Cellular Processes (8%). Among them, TNF signaling pathway and HIF-1 signaling pathway were highly enriched for non-specific diseases. In the nodes of the network, The Chinese herbs with the highest Degree of aggregation in the network nodes were Agrimoniae herba (Degree=66), Glycyrrhizae radix et rhizoma praeparata cum melle (Degree=64), the target proteins were MAPK3 (Degree=51),MAPK1 (Degree=50),and the pathway was PI3K-Akt signaling pathway (Degree=29). Conclusion:Fuzheng Jiedu Decoction is mainly used to treat children's ITP with Agrimoniae herba and Glycyrrhizae radix et rhizoma praeparata cum melle,and it is related to the regulation of platelet number, adhesion and focusing.
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Objective:To analyze the pharmacological mechanism of Xiaoluo Bolus in treating Malignant Lymphoma based on network pharmacology so as to provide references for the R&D of new drugs and clinical use of classic formulation.Methods:This paper collected the main chemical components of Scrophulariaceae, Fritillaria, Oyster and their targets through TCMSP Database and selected active ingredients according to ADME. The main lymphoma target genes were acquired by GeneCards, OMIN, TTD, DURGBANK database. The main targets of Xiaoluo Bolus treating lymphoma were screened by using BisoGenet function in Cytoscape and PPI network of Xiaoluo Bolus compounds-Malignant Lymphoma target was constructed. Metascape data platform was used to analyze signal pathways of Xiaoluo Bolus and construct the network of Xiaoluo Bolus compounds-Malignant Lymphoma target-signal pathway.Results:The core effective ingredients of Xiaoluo Bolus which could treat Malignant Lymphoma were harpagoside, Zhebeiresinol, pelargonidin and the targets were PRS27A, TP53, PPP2CA, which mainly takes effect on NF-κB、HIF-1 pathways. The main function of them is to act on the rDNA chromatin silencing and megakaryocyte differentiation.The common deubiquitination function in these two pathways indicated the main therapeutic target of Xiaoluo Bolus treating malignant lymphoma.Conclusion:This study initially revealed the multi-component, multi-target, and multi-collateral mechanism of Xiaoluo Bolus, in the treatment of malignant lymphoma which provids the scientific base for the development and utilization of Xiaoluo Bolus in clinical use.
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Combined with the related research progress of the application of chemical space in the field of Traditional Chinese Medicine (TCM), the common database resources and calculation tools of chemical space research are summarized and analyzed. The compatibility law of chemical space in TCM prescriptions, the screening of effective ingredients of TCMs, and TCM compounds are summarized. It was found that the current studies mainly focus on the efficacy and multi-target studies of TCMs and TCM compound, among which there are more studies on osteoarthritis and rheumatoid arthritis. The existing studies have clarified the efficacy and targets of TCMs or TCM compound for diseases, but there is still a lack of a database on the main components of all TCMs and the efficacy and main targets of TCM compound. Therefore, there needs a new database for the main efficacy molecules and targets of TCMs.
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Objective:To analyze the possible mechanism of Zuojin Pills on gastroesophageal reflux disease based on network pharmacology. Methods:By searching for the active constituent and protein targets of Zuojin Pills in TCMSP database,the protein names were converted into gene names in Uniprot database. Cytoscape 3.7.1 was used to draw the active constituent-target-medicine network diagram of Zuojin Pills and analyze the topological parameters. Then find the target of gastroesophageal reflux disease through OMIM,GeneCards,DRUGBANK database, find the intersection target of medicine and disease, perform PPI network analysis on the intersection target in STRING 11.0, and use the Metascape database to enrich the intersection target for further analysis. Cytoscape 3.7.1 was used to draw a network diagram of the active constituent- target-pathway of the medicine and to conduct a topology parameter analysis. Results:The main active constituent of Zuojin Pills in the treatment of gastroesophageal reflux disease are quercetin, Evodiamine, R-tetrahydroberberine, 1-methyl-2-nonyl-4-quinolone, berberine, etc. Targets include PTGS2, NOS3, MAPK1, EGFR, TNF, IL6, ERBB2, VEGFA, EGF, IL1B, etc., and these processes are mainly completed through inflammatory response, cancer, cell proliferation and apoptosis, cell connection, etc. Conclusions:The treatment of gastroesophageal reflux disease with Zuojin Pills is a complex process with multiple constituent, multiple targets, and multiple pathways. It is hoped that it which could provide reference for the future research on its mechanism of action.
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Objective:To predict the main active constituent, targets and signaling pathways of Huanglian-Jiedu Decoction against Helicobacter pylori infection by using network pharmacology, and to explore its potential mechanism, so as to provide objective foundation for the following experimental research. Methods:Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) was used to screen the main active constituent and potential targets of Coptidis Rhizoma, Scutellaria baicalensis, Phellodendri Chinensis Cortex and Gardeniae Fructus in Huanglian-Jiedu Decoction. The targets related to Helicobacter pylori infection were screened by GeneCards suite database and human Mendelian genetic database (OMIM), and the intersection of Chinese herbs and disease targets was obtained. The Intersecting target were import into Cytoscape 3.7.2 to construct the network of active constituents and targets related to Helicobacter pylori infection. The protein protein interaction (PPI) network was constructed and analyzed by using string online analysis platform. Use R language to search Bioconductor platform online to enrich go function of targets. The enrichment of KEGG pathway was analyzed by David database. Results:total of 85 active constituent were screened from Huanglian-Jiedu Decoction, including quercetin, berberine, kaempferol, wogonin and baicalein. There are 112 corresponding targets, 1 960 disease-related targets and 71 common targets for herbal medicine and disease. Quercetin is the active constituent with the highest degree in the network diagram, and the target with the highest degree is cyclooxygenase-1 (PTGS1). In 69 nodes of PPI graph, the target proteins with the highest degree included CASP3, IL6, MAPK8, MYC, VEGFA and EGFR. A total of 89 items were obtained by GO functional enrichment analysis, and 12 signaling pathways with significant differences were screened by KEGG pathway enrichment analysis. Among them, pathways in cancer, ErbB Signal pathway, p53 signal pathway, apoptosis, and focal adhesion, which play a major role. Conclusions:Huanglian-Jiedu Decoction may treatm Helicobacter pylori with multi-component, multi-target and multi-pathway charateristics. At the same time, it may regulate the process of gastric cancer through anti-tumor mechanism, which could lay a foundation for the study of active components and anti-HP mechanism.
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Objective:By using the network pharmacology method to predict the active constituents and action targets of Suzi-Jiangqi Decoction in the treatment of COPD, and to explore its potential molecular mechanism with multi-component, multi-target and multi-pathway characteristics. Methods:The active constituents and targets of Suzi-Jiangqi Decoction were collected, screened and predicted according to the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and UniProt software. Search for the gene targets related to COPD in GeneCards, online human Mendelian genetic database (OMIM) and TTD database. The intersection targets of component targets and disease targets were obtained by Veen map online software. The network model with the sequence of active constituents-target-disease was constructed and analyzed by Cytoscape software, and the protein-protein interaction network (PPI) was constructed by STRING database. The gene ontology function annotation (GO) and Tokyo genome encyclopedia (KEGG) pathway enrichment analysis of common targets with metascape online tool. Results:A total of 163 active constituents of Suzi-Jiangqi Decoction were screened, 283 targets were predicted, and 159 targets involved in the treatment of COPD. Quercetin, kaempferol, naringin and luteolin were the key active ingredients. IL6, TNF, MAPK3, JUN, CASP3, CXCL8, CXCL10, MMP9 and MAPK1 were important gene targets. GO analysis showed that the biological processes involved in the enrichment of key gene targets included the response to bacteria, the cytokine mediated signaling pathway, the cell's response to inorganic substances, the response to oxidative stress, the response to LPS, and so on. The enrichment analysis of KEGG pathway showed that the signaling pathway of Suzi-Jiangqi Decoction in the treatment of COPD included TNF signaling pathway, IL-17 signaling pathway, cell cycle, Influenza A, HTLV-I infection, AGE-RAGE signaling pathway, Tuberculosis, Epstein-Barr virus infection and so on. Conclusion:Suzi-Jiangqi Decoction can treat COPD through multi-target and multi-pathway mechanisms of anti-inflammatory, anti infection and immune regulation, which lays a foundation for further study of its molecular mechanism.
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Objective:To explore the effective chemical constituents and target genes of the Sanhan-Qushi-Wenjing-Tongluo formula through the method of network pharmacology, and to further analyze the mechanism of treatoffing psoas fasciitis. Methods:The TCMSP database was used to search and screen the chemical active substances of Sanhan-Qushi-Wenjing-Tongluo formula and its target proteins acting on the human body. At the same time, the GeneCards database platform was used to predict the target of disease and the active ingredient-target network was constructed. Construct a PPI network through the STRING database, search for PPI core genes, and then perform GO enrichment analysis and KEGG enrichment analysis to find the signal pathways involved and construct a target-path network. Results:Through screening, a total of 23 key chemical components and 25 common target proteins was obtained in Sanhan-Qushi-Wenjing-Tongluo formula treating psoas fasciitis; gene analysis of enrichment analysis results include antibiotic response, cyclin-dependent proteins kinase holoenzyme complex, cytokine receptor binding, etc. Kyoto Encyclopedia of Genes and Genomes enrichment analysis results include AGE-RAGE signaling pathway, measles, endocrine resistance, inflammatory bowel disease, etc; the target genes gained which have a higher degree of matching with the above mentioned pathways include IL6, JUN, IL1B, CDK4, CCND1. Conclusion:Sanhan-Qushi-Wenjing-Tongluo formula could treat psoas fasciitis by regulating the target genes such as IL6, JUN, IL1B, CDK4 and CCND1.
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Objective:Network pharmacology was used to investigate the mechanism of the Sargassum treating thyroid nodule. Methods:The main active ingredients of Sargassum and the targets of active ingredients were obtained by TCMSP, and thyroid nodule disease targets were obtained through GeneCards and OMIM. The STRING database and Cytoscape 3.2.1 software were used to construct the active ingredients-disease-targets network and protein interaction network (PPI). The GO enrichment and KEGG pathway analysis of the targets were analyzed by using R version 4.0.0 software. Results:Two active ingredients were screened from Sargassum and 59 targets were related to thyroid nodule. Biological function analysis showed that the targets of Sargassum included DNA-binding transcription activator activity, RNA polymerase Ⅱ-specific, ubiquitin-like protein ligase binding. Sargassum played an important role in treating thyroid nodule by the gene targets such as RELA, CASP3, IL6, CASP9, EGFR, VEGFA and other targets mediating the signaling pathways such as PI3K-Akt signaling pathway, Kaposi sarcoma-associated herpesvirus infection and other pathways. Conclusion:The potential multi-target and multi-pathway network mechanism of Sargassum in the treatment of thyroid nodule provided theoretical basis for further research.
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Objective:To explore the targets and signal pathways of Maxing-Ersan Decoction in the treatment of COPD by using network pharmacology, and to reveal the mechanism of intervention of multiple targets and multiple pathways of Maxing-Ersan Decoction in the treatment of COPD. Methods:The active ingredients and corresponding targets of Maxing-Ersan Decoction were screened with the help of TCMSP database, and the targets related to COPD disease were screened with GeneCards database. The STRING database was used for protein-protein interaction (PPI) network analysis. By using Cytoscape to build compound target network and PPI network; by using Draw Venn Diagram website to draw a Venn diagram, and using R software to perform gene ontology (GO) functional enrichment analysis and Kyoto encyclopedia of genes and genomes (KEGG). Results:A total of 101 active ingredients were obtained, with 250 corresponding targets, including 214 targets related to COPD. Through GO and KEGG enrichment analysis, all together 48 signal pathways related to the main components of Maxing-Ersan Decoction were screened out. Conclusion:Based on the network pharmacological analysis, the effective chemical components of Maxing-Ersan Decoction were found, and it was found that Maxing-Ersan Decoction may act on COPD through multiple targets and multiple pathways such as inflammation and immune regulation.