Objective: To investigate the molecular mechanisms of Yuye Decotion in the treatment of diabetic kidney disease using network pharmacology methods and molecular docking techniques. Methods: Obtain the transcriptome ge...Objective: To investigate the molecular mechanisms of Yuye Decotion in the treatment of diabetic kidney disease using network pharmacology methods and molecular docking techniques. Methods: Obtain the transcriptome gene expression of diabetic nephropathy through GEO database, and extract genes related to autophagy. Screen the active ingredients and corresponding targets of Yuye Decoction through the TCMSP database, and map the drug prediction targets and disease targets to obtain the autophagy-related Yuye treatment targets for diabetic nephropathy point. Use String database combined with Cytoscape 3.7.2 software to construct the "drug-active ingredient-target" network and protein interaction network of Yuyetang for the treatment of diabetic nephropathy. The target point of liquid soup in the treatment of diabetic nephropathy was analyzed by GO biological process enrichment analysis and KEGG pathway enrichment analysis, and finally used Pymol and other software to analyze the core active components of Yuye Decotion and The core target protein undergoes molecular docking verification. Results: (i)100 eligible diabetic nephropathy and autophagy related genes were screened, and the potential targets of Yuye Decoction were 1,428. The acquired genes related to diabetic nephropathy and autophagy were mapped to potential targets of Yuye Decoction, and 22 therapeutic targets were obtained. GO biological process enrichment analysis and KEGG pathway enrichment analysis found that the pathways related to autophagy in the treatment of diabetic nephropathy by Yuye Decoction may include mTOR signaling pathway, phospholipase D signaling pathway, insulin resistance, EGFR tyrosine kinase inhibitor resistance, Apoptosis, PI3K /Akt signaling pathway, NF-κB signaling pathway, etc. (ii)The protein interaction network shows that VEGFA, ERBB2, GASP3, MAPK8, MYC, CDKN1A, EGFR, BCL2L1 may be the key targets of Yuye Decoction in the treatment of diabetic nephropathy. Molecular docking realizes the binding of 4 core active ingredients to 8 core target proteins. Conclusions: The research results show that Yuye Decoction treats diabetic nephropathy through multi-component, multi-target, and multi-pathway action, and provides new theoretical basis for the study of pharmacological effects and clinical application of Yuye Decoction in the treatment of diabetic nephropathy in autophagy-related aspects.展开更多
Objective:To study the safety,efficacy and mechanism of Wang Yulin self-made recipe Rexiao decoction in the treatment of acute bronchial asthma(BA).Methods:80 patients with acute attack BA were randomly divided into w...Objective:To study the safety,efficacy and mechanism of Wang Yulin self-made recipe Rexiao decoction in the treatment of acute bronchial asthma(BA).Methods:80 patients with acute attack BA were randomly divided into western medicine group(n=40)and traditional Chinese and western medicine group(n=40).The control group was treated with routine western medicine:salmeterol was inhaled twice a day,combined with oxygen therapy and inducement therapy.The Chinese and Western medical group was treated with Rexiao decoction in the western medical group.The course of treatment is 15 days.Their syndrome score,blood gas analysis(PaC02,Pa02)and induced sputum IL-5,EOS,IL-1 were observed.3.Pulmonary function(record of kidney,liver function,blood routine and adverse reactions in PEF%Pred,FEV1%Pred),group).Results:the total effective rate was 85%in western medicine group and 92.5%in traditional Chinese and western medicine group(P<0.01).After treatment,the score of TCM syndromes in the Chinese and western medicine group was better than that in the western medicine group(P<0.05).After treatment,the pulmonary function(FEV1%Pred)of the traditional Chinese and western medicine group was better than that of the western medicine group,and the PEF%Pred of the Chinese and western medicine group was better than that of the western medicine group.Analysis of Blood Gas in traditional Chinese and Western Medicine Group after treatment(PaO2)was significantly higher than that in the control group(P<0.05).There was no significant difference in the improvement of blood gas analysis(PaCO2)between the western medicine group and the traditional Chinese and western medicine group(P>0.05).The decrease of IL-13,EOS and IL-5 in sputum of traditional Chinese and western medicine group was more than that of western medicine group(P<0.01).There was no significant difference in liver function(AST,ALT),renal function(Cr,Urea),blood routine(WBC,RBC,PLT)before and after treatment in traditional Chinese and western medicine group(P>0.05),but no obvious adverse reactions were found.Conclusions:heat Asthma decoction is safe and effective in the treatment of hot asthma syndrome in acute attack.The target and inflammatory factors,eosinophils are likely to decrease,and the effect of airway inflammation and high reaction are decreased.展开更多
目的:基于网络药理学和分子对接预测黄芪补肾活血汤治疗乳腺癌的作用机制。方法:利用中药系统药理学数据库和分析平台(traditional Chinese medicines systems pharmacology platform,TCMSP)、BATM-TCM数据库等筛选黄芪补肾活血汤主要...目的:基于网络药理学和分子对接预测黄芪补肾活血汤治疗乳腺癌的作用机制。方法:利用中药系统药理学数据库和分析平台(traditional Chinese medicines systems pharmacology platform,TCMSP)、BATM-TCM数据库等筛选黄芪补肾活血汤主要活性成分以及相关靶点,通过Gene Cards数据库搜索乳腺癌相关基因并进行筛选,将黄芪补肾活血汤靶点与乳腺癌基因进行映射,利用Cytoscape 3.8.2软件构建中药-成分-靶点可视化网络,绘制蛋白互作网络及进行基因本体(gene ontology,GO)、京都基因和基因组百科全书(Kyoto encyclopedia of genes and genomes,KEGG)富集分析,筛选出核心基因。将黄芪补肾活血汤复方成分与关键靶点通过Swiss Dock网站进行分子对接验证。结果:黄芪补肾活血汤有效成分136个,潜在治疗靶点828个,其中76个是黄芪补肾活血汤治疗乳腺癌的潜在靶点。在蛋白互作网络中发现TP53、VEGFA、MAPK8、JUN、EGF等可能是黄芪补肾活血汤治疗乳腺癌的关键靶点。通过GO、KEGG富集分析发现作用机制涉及的通路包括PI3K-Akt信号通路、肿瘤中的microRNAs、RNA聚合酶Ⅱ转录因子复合物肌膜、转录因子结合、G蛋白偶联胺受体活性、血红素结合、蛋白质结构域特异性结合、核受体活性、癌症中的转录调控异常、血管内皮生长因子信号通路等。通过分子对接验证显示,化合物槲皮素、山柰酚、β-谷甾醇、木犀草素、植物甾醇与关键靶点PGR、ADRB2、NR3C2、PREE1、SCN5A具有较好的结合能力。结论:通过网络药理学构建“药物-成分-靶点-信号通路”网络及分子对接技术验证,发现黄芪补肾活血汤治疗乳腺癌主要是通过抗癌、抑制雌激素受体的表达、调节免疫等多通路、多靶点实现的,为临床治疗乳腺癌提供了更多的治疗方法,给临床用药提供了更多的选择。展开更多
基金National Natural Science Foundation of China,Regional Fund(No.81860836)。
文摘Objective: To investigate the molecular mechanisms of Yuye Decotion in the treatment of diabetic kidney disease using network pharmacology methods and molecular docking techniques. Methods: Obtain the transcriptome gene expression of diabetic nephropathy through GEO database, and extract genes related to autophagy. Screen the active ingredients and corresponding targets of Yuye Decoction through the TCMSP database, and map the drug prediction targets and disease targets to obtain the autophagy-related Yuye treatment targets for diabetic nephropathy point. Use String database combined with Cytoscape 3.7.2 software to construct the "drug-active ingredient-target" network and protein interaction network of Yuyetang for the treatment of diabetic nephropathy. The target point of liquid soup in the treatment of diabetic nephropathy was analyzed by GO biological process enrichment analysis and KEGG pathway enrichment analysis, and finally used Pymol and other software to analyze the core active components of Yuye Decotion and The core target protein undergoes molecular docking verification. Results: (i)100 eligible diabetic nephropathy and autophagy related genes were screened, and the potential targets of Yuye Decoction were 1,428. The acquired genes related to diabetic nephropathy and autophagy were mapped to potential targets of Yuye Decoction, and 22 therapeutic targets were obtained. GO biological process enrichment analysis and KEGG pathway enrichment analysis found that the pathways related to autophagy in the treatment of diabetic nephropathy by Yuye Decoction may include mTOR signaling pathway, phospholipase D signaling pathway, insulin resistance, EGFR tyrosine kinase inhibitor resistance, Apoptosis, PI3K /Akt signaling pathway, NF-κB signaling pathway, etc. (ii)The protein interaction network shows that VEGFA, ERBB2, GASP3, MAPK8, MYC, CDKN1A, EGFR, BCL2L1 may be the key targets of Yuye Decoction in the treatment of diabetic nephropathy. Molecular docking realizes the binding of 4 core active ingredients to 8 core target proteins. Conclusions: The research results show that Yuye Decoction treats diabetic nephropathy through multi-component, multi-target, and multi-pathway action, and provides new theoretical basis for the study of pharmacological effects and clinical application of Yuye Decoction in the treatment of diabetic nephropathy in autophagy-related aspects.
基金Science and technology cooperation project of guizhou province(No.7134).
文摘Objective:To study the safety,efficacy and mechanism of Wang Yulin self-made recipe Rexiao decoction in the treatment of acute bronchial asthma(BA).Methods:80 patients with acute attack BA were randomly divided into western medicine group(n=40)and traditional Chinese and western medicine group(n=40).The control group was treated with routine western medicine:salmeterol was inhaled twice a day,combined with oxygen therapy and inducement therapy.The Chinese and Western medical group was treated with Rexiao decoction in the western medical group.The course of treatment is 15 days.Their syndrome score,blood gas analysis(PaC02,Pa02)and induced sputum IL-5,EOS,IL-1 were observed.3.Pulmonary function(record of kidney,liver function,blood routine and adverse reactions in PEF%Pred,FEV1%Pred),group).Results:the total effective rate was 85%in western medicine group and 92.5%in traditional Chinese and western medicine group(P<0.01).After treatment,the score of TCM syndromes in the Chinese and western medicine group was better than that in the western medicine group(P<0.05).After treatment,the pulmonary function(FEV1%Pred)of the traditional Chinese and western medicine group was better than that of the western medicine group,and the PEF%Pred of the Chinese and western medicine group was better than that of the western medicine group.Analysis of Blood Gas in traditional Chinese and Western Medicine Group after treatment(PaO2)was significantly higher than that in the control group(P<0.05).There was no significant difference in the improvement of blood gas analysis(PaCO2)between the western medicine group and the traditional Chinese and western medicine group(P>0.05).The decrease of IL-13,EOS and IL-5 in sputum of traditional Chinese and western medicine group was more than that of western medicine group(P<0.01).There was no significant difference in liver function(AST,ALT),renal function(Cr,Urea),blood routine(WBC,RBC,PLT)before and after treatment in traditional Chinese and western medicine group(P>0.05),but no obvious adverse reactions were found.Conclusions:heat Asthma decoction is safe and effective in the treatment of hot asthma syndrome in acute attack.The target and inflammatory factors,eosinophils are likely to decrease,and the effect of airway inflammation and high reaction are decreased.
文摘目的:基于网络药理学和分子对接预测黄芪补肾活血汤治疗乳腺癌的作用机制。方法:利用中药系统药理学数据库和分析平台(traditional Chinese medicines systems pharmacology platform,TCMSP)、BATM-TCM数据库等筛选黄芪补肾活血汤主要活性成分以及相关靶点,通过Gene Cards数据库搜索乳腺癌相关基因并进行筛选,将黄芪补肾活血汤靶点与乳腺癌基因进行映射,利用Cytoscape 3.8.2软件构建中药-成分-靶点可视化网络,绘制蛋白互作网络及进行基因本体(gene ontology,GO)、京都基因和基因组百科全书(Kyoto encyclopedia of genes and genomes,KEGG)富集分析,筛选出核心基因。将黄芪补肾活血汤复方成分与关键靶点通过Swiss Dock网站进行分子对接验证。结果:黄芪补肾活血汤有效成分136个,潜在治疗靶点828个,其中76个是黄芪补肾活血汤治疗乳腺癌的潜在靶点。在蛋白互作网络中发现TP53、VEGFA、MAPK8、JUN、EGF等可能是黄芪补肾活血汤治疗乳腺癌的关键靶点。通过GO、KEGG富集分析发现作用机制涉及的通路包括PI3K-Akt信号通路、肿瘤中的microRNAs、RNA聚合酶Ⅱ转录因子复合物肌膜、转录因子结合、G蛋白偶联胺受体活性、血红素结合、蛋白质结构域特异性结合、核受体活性、癌症中的转录调控异常、血管内皮生长因子信号通路等。通过分子对接验证显示,化合物槲皮素、山柰酚、β-谷甾醇、木犀草素、植物甾醇与关键靶点PGR、ADRB2、NR3C2、PREE1、SCN5A具有较好的结合能力。结论:通过网络药理学构建“药物-成分-靶点-信号通路”网络及分子对接技术验证,发现黄芪补肾活血汤治疗乳腺癌主要是通过抗癌、抑制雌激素受体的表达、调节免疫等多通路、多靶点实现的,为临床治疗乳腺癌提供了更多的治疗方法,给临床用药提供了更多的选择。
