Bo Zhang, Hua Zhong, Jia-Wei Chen, Ya-Rong Liu, Hong-Fei Wu
Background: Four classical Traditional Chinese Medicine prescriptions, namely Gualou Xiebai Baijiu decoction, Gualou Xiebai Banxia decoction (GLXBBX), Zhishi Xiebai Guizhi decoction (ZSXBGZ) and Danlou prescription (DL), have been frequently used for treatment of phlegm and blood stasis syndrome (PBSS)- related cardiovascular diseases. However, its therapeutic mechanism has not been clearly elucidated. This study aimed to explore PBSS and its molecular mechanism, clarify and compare the mechanisms of four prescriptions in treating PBSS-related diseases. Method: In this study, we collected four prescriptions’ compounds, predicted therapeutic targets, and enriched pathways which were based on network pharmacology. Then, we analysed the commen and different mechanisms by combing the
{"title":"Comparing the mechanism of four classic Gualou-Xiebai prescriptions for cardiovascular diseases with phlegm and blood stasis syndrome based on molecular network modeling","authors":"Bo Zhang, Hua Zhong, Jia-Wei Chen, Ya-Rong Liu, Hong-Fei Wu","doi":"10.53388/pr202303016","DOIUrl":"https://doi.org/10.53388/pr202303016","url":null,"abstract":"Background: Four classical Traditional Chinese Medicine prescriptions, namely Gualou Xiebai Baijiu decoction, Gualou Xiebai Banxia decoction (GLXBBX), Zhishi Xiebai Guizhi decoction (ZSXBGZ) and Danlou prescription (DL), have been frequently used for treatment of phlegm and blood stasis syndrome (PBSS)- related cardiovascular diseases. However, its therapeutic mechanism has not been clearly elucidated. This study aimed to explore PBSS and its molecular mechanism, clarify and compare the mechanisms of four prescriptions in treating PBSS-related diseases. Method: In this study, we collected four prescriptions’ compounds, predicted therapeutic targets, and enriched pathways which were based on network pharmacology. Then, we analysed the commen and different mechanisms by combing the","PeriodicalId":109177,"journal":{"name":"TMR Pharmacology Research","volume":"80 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135446273","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Objective : To investigate the mechanism by which Astragalus mongholicus Bunge (AM), and Angelica sinensis Diels (AS) act in interstitial lung disease (ILD) based on computational prediction. Methods : We screened the ingredients of AM and AS in PubMed, the Web of Science, China National Knowledge Infrastructure (CNKI) Databases, etc. Then obtained the potential effective components. By sharing the same molecular with ILD, we got the possible target genes for ILD treatment and constructed components–targets–disease network with Cytoscape software. The CTD (Comparative Toxicogenomics Database) database was used for GO and KEGG enrichment analysis of these target genes. Results : 59 active ingredients that can be druggable were chosen from AM, 67 active ingredients were chosen from AS. 77 overlapping target genes for AM and ILD and 36 overlapping target genes for AS and ILD were acquired. The hub targets of AM were PTGS2, PTGS1,CDK2, MAOA, ESR1, TOP2A, GSK3B, ESR2, PPARG, NOS2, The hub targets of AS were PTGS2, GABRA1, PTGS1, CHRM1, SLC6A2, ADRA1B, ADRAIA, ADRB2, CHRM3, GABRA2, CHRM2. Quercetin, kaempferol, daidzein, pavilion, 7-Hydroxycoumarin, and 5-Hydroxycoumarin were the main active ingredients which have more effective targets. Prediction of the protein-protein interaction network showed PTGS2, GSK3B, PPARG, etc., were the important predicted targets. The enriched KEGG pathways, including the Immune System, Metabolism of lipids and lipoproteins, Cytokine Signaling in the Immune system, Generic Transcription Pathway, The interleukin pathway, Metabolism of proteins, PI3K-Akt signaling pathway, Metabolic pathways, Innate Immune System, Neuroactive ligand-receptor interaction, Metabolism, GPCR downstream signaling, Amine ligand-binding receptors, Class A/1, Calcium signaling pathway. Molecular docking showed that quercetin, kaempferol, daidzein, pavilion, 7-Hydroxycoumarin, 5-Hydroxycoumarin had good binding activities with PTGS2 and GSK3B, which mainly mediated PI3K/Akt and other important signaling pathways in the pathogenesis of ILD. Conclusion : The components in AS and AM share some common targets, such as PTGS2. AM and AS may ameliorate ILD through the PI3K-Akt signaling pathway which is mediated by GSK3B. PTGS2, PPARG may also be vital target genes in the treatment of ILD with AM and AS.
{"title":"Mechanism prediction of Astragalus mongholicus Bunge and Angelica sinensis Diels in treating interstitial lung disease based on network pharmacology and molecular docking","authors":"Jun Du, Jian Hao, Wei Wei","doi":"10.53388/pr202303018","DOIUrl":"https://doi.org/10.53388/pr202303018","url":null,"abstract":"Objective : To investigate the mechanism by which Astragalus mongholicus Bunge (AM), and Angelica sinensis Diels (AS) act in interstitial lung disease (ILD) based on computational prediction. Methods : We screened the ingredients of AM and AS in PubMed, the Web of Science, China National Knowledge Infrastructure (CNKI) Databases, etc. Then obtained the potential effective components. By sharing the same molecular with ILD, we got the possible target genes for ILD treatment and constructed components–targets–disease network with Cytoscape software. The CTD (Comparative Toxicogenomics Database) database was used for GO and KEGG enrichment analysis of these target genes. Results : 59 active ingredients that can be druggable were chosen from AM, 67 active ingredients were chosen from AS. 77 overlapping target genes for AM and ILD and 36 overlapping target genes for AS and ILD were acquired. The hub targets of AM were PTGS2, PTGS1,CDK2, MAOA, ESR1, TOP2A, GSK3B, ESR2, PPARG, NOS2, The hub targets of AS were PTGS2, GABRA1, PTGS1, CHRM1, SLC6A2, ADRA1B, ADRAIA, ADRB2, CHRM3, GABRA2, CHRM2. Quercetin, kaempferol, daidzein, pavilion, 7-Hydroxycoumarin, and 5-Hydroxycoumarin were the main active ingredients which have more effective targets. Prediction of the protein-protein interaction network showed PTGS2, GSK3B, PPARG, etc., were the important predicted targets. The enriched KEGG pathways, including the Immune System, Metabolism of lipids and lipoproteins, Cytokine Signaling in the Immune system, Generic Transcription Pathway, The interleukin pathway, Metabolism of proteins, PI3K-Akt signaling pathway, Metabolic pathways, Innate Immune System, Neuroactive ligand-receptor interaction, Metabolism, GPCR downstream signaling, Amine ligand-binding receptors, Class A/1, Calcium signaling pathway. Molecular docking showed that quercetin, kaempferol, daidzein, pavilion, 7-Hydroxycoumarin, 5-Hydroxycoumarin had good binding activities with PTGS2 and GSK3B, which mainly mediated PI3K/Akt and other important signaling pathways in the pathogenesis of ILD. Conclusion : The components in AS and AM share some common targets, such as PTGS2. AM and AS may ameliorate ILD through the PI3K-Akt signaling pathway which is mediated by GSK3B. PTGS2, PPARG may also be vital target genes in the treatment of ILD with AM and AS.","PeriodicalId":109177,"journal":{"name":"TMR Pharmacology Research","volume":"363 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136207763","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"work pharmacology and data analysis method to explore the traditional Chinese medicine regulates ferroptosis key genes in the occurrence and prognosis of lupus nephritis","authors":"Ai-Tao Lin, Jin-Yu Wu, Zhi-Ying Zhang","doi":"10.53388/pr202303015","DOIUrl":"https://doi.org/10.53388/pr202303015","url":null,"abstract":"","PeriodicalId":109177,"journal":{"name":"TMR Pharmacology Research","volume":"266 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135361358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：