运用数据库及可视化软件分析黄芪-白茅根治疗慢性肾小球肾炎(chronic glomerulonephritis,CGN)的有效活性成分并探讨其潜在作用机制。通过中药系统药理学数据库与分析平台及BATMAN-TCM数据库收集黄芪-白茅根活性成分,SwissTargetPredict...运用数据库及可视化软件分析黄芪-白茅根治疗慢性肾小球肾炎(chronic glomerulonephritis,CGN)的有效活性成分并探讨其潜在作用机制。通过中药系统药理学数据库与分析平台及BATMAN-TCM数据库收集黄芪-白茅根活性成分,SwissTargetPrediction和Uniprot数据库进行靶点标准化处理;通过GeneCards、OMIM、DisGeNET、Drugbank、DiGSeE数据库筛选CGN相关靶点;应用Cytoscape软件构建相关网络图;利用Omicshare平台进行基因本体(gene ontology,GO)和京都基因与基因组百科全书(Kyoto encyclopedia of genes and genomes,KEGG)分析;采用AutoDock Vina及LigPlot进行核心成分与核心靶点的对接。黄芪-白茅根中共筛选出27个活性成分和271个活性成分靶点。对143个药物和疾病的交集靶点进行分析,获得7084个GO相关过程,230个KEGG信号通路,其中差异的有4663个GO相关过程,159个KEGG信号通路。分子对接发现本研究筛选的核心成分与靶点拥有较好的结合能。研究表明黄芪-白茅根是通过多成分、多靶点、多通路的作用方式发挥治疗CGN的作用,为CGN的治疗提供了重要的科学依据。展开更多
In the experimental garden of the Department of Soil Bioengineering and Landscape Construction, University of Applied Life Sciences in Vienna, Austria, coarse root systems of three different brush species were complet...In the experimental garden of the Department of Soil Bioengineering and Landscape Construction, University of Applied Life Sciences in Vienna, Austria, coarse root systems of three different brush species were completely excavated and semiutomatically digitized. The species were Lonicera xylosteum, Ligustrum vulgare and Euonymus europaeus. The 3-D root architectures reveal different growth strategies between species, which are related to ecological characteristics and physical soil properties. The root architecture of Lonicera xylosteum and Ligustrum vulgare, planted in the under layer of the live slope grading, where the soil is very tight and the soil water content and fertility are relatively low, is shallow. However, the root distribution of E. europaeus, planted in the middle layer, where environmental conditions are better, is deeper. Most of the root biomass of the three species is concentrated in the 0-30 cm soil layer. A quarter of the root biomass ofLigustrum vulgare is distributed in the upper layer of the plant inlay. E. europaeus has a relatively even distribution in the 30-0 cm and 60-90 cm soil layer.展开更多
目的:通过网络药理学和分子对接技术,探讨血必净注射液治疗新冠肺炎(COVID-19)的潜在分子机制。方法:采用中药系统药理学分析平台(TCMSP)数据库收集血必净对应的化合物成分和作用靶点,选用GeneCards数据库获取COVID-19相关靶点;获取血...目的:通过网络药理学和分子对接技术,探讨血必净注射液治疗新冠肺炎(COVID-19)的潜在分子机制。方法:采用中药系统药理学分析平台(TCMSP)数据库收集血必净对应的化合物成分和作用靶点,选用GeneCards数据库获取COVID-19相关靶点;获取血必净注射液与COVID-19的共同作用靶点,采用STRING数据库构建蛋白互作网络图,运用Cytoscape软件对网络图进行可视化分析获取关键靶点;DAVID数据库对共有靶点进行GO(gene ontology)和KEGG(Kyoto encyclopedia of genes and genomes)富集分析,通过Cytoscape软件构建血必净注射液"成分-靶点-疾病"网络图。采用AutoDock Tools对血必净注射液核心成分与SARS-CoV-23CL水解酶蛋白和血管紧张素转换酶II(ACE2)进行分子对接,并通过PyMOL软件进行可视化处理。结果:共筛选出血必净注射液中5种药材对应的270个对应靶点,与COVID-19有52个共表达靶点。GO富集分析得到160个生物过程,KEGG分析得到112条信号通路。分子对接表明,血必净注射液中槲皮素、β-谷甾醇、木犀草素为degree较高的活性成分,与3CL水解酶和ACE2具有较强的结合能力。结论:血必净注射液可能通过槲皮素、β-谷甾醇、木犀草素等成分调节IL6、CCL2、TNF、PTGS2等核心基因参与COVID-19的治疗,同时也说明血必净注射液可通过"多成分-多靶点-多途径"发挥对COVID-19的治疗作用。展开更多
文摘运用数据库及可视化软件分析黄芪-白茅根治疗慢性肾小球肾炎(chronic glomerulonephritis,CGN)的有效活性成分并探讨其潜在作用机制。通过中药系统药理学数据库与分析平台及BATMAN-TCM数据库收集黄芪-白茅根活性成分,SwissTargetPrediction和Uniprot数据库进行靶点标准化处理;通过GeneCards、OMIM、DisGeNET、Drugbank、DiGSeE数据库筛选CGN相关靶点;应用Cytoscape软件构建相关网络图;利用Omicshare平台进行基因本体(gene ontology,GO)和京都基因与基因组百科全书(Kyoto encyclopedia of genes and genomes,KEGG)分析;采用AutoDock Vina及LigPlot进行核心成分与核心靶点的对接。黄芪-白茅根中共筛选出27个活性成分和271个活性成分靶点。对143个药物和疾病的交集靶点进行分析,获得7084个GO相关过程,230个KEGG信号通路,其中差异的有4663个GO相关过程,159个KEGG信号通路。分子对接发现本研究筛选的核心成分与靶点拥有较好的结合能。研究表明黄芪-白茅根是通过多成分、多靶点、多通路的作用方式发挥治疗CGN的作用,为CGN的治疗提供了重要的科学依据。
文摘In the experimental garden of the Department of Soil Bioengineering and Landscape Construction, University of Applied Life Sciences in Vienna, Austria, coarse root systems of three different brush species were completely excavated and semiutomatically digitized. The species were Lonicera xylosteum, Ligustrum vulgare and Euonymus europaeus. The 3-D root architectures reveal different growth strategies between species, which are related to ecological characteristics and physical soil properties. The root architecture of Lonicera xylosteum and Ligustrum vulgare, planted in the under layer of the live slope grading, where the soil is very tight and the soil water content and fertility are relatively low, is shallow. However, the root distribution of E. europaeus, planted in the middle layer, where environmental conditions are better, is deeper. Most of the root biomass of the three species is concentrated in the 0-30 cm soil layer. A quarter of the root biomass ofLigustrum vulgare is distributed in the upper layer of the plant inlay. E. europaeus has a relatively even distribution in the 30-0 cm and 60-90 cm soil layer.
文摘目的:通过网络药理学和分子对接技术,探讨血必净注射液治疗新冠肺炎(COVID-19)的潜在分子机制。方法:采用中药系统药理学分析平台(TCMSP)数据库收集血必净对应的化合物成分和作用靶点,选用GeneCards数据库获取COVID-19相关靶点;获取血必净注射液与COVID-19的共同作用靶点,采用STRING数据库构建蛋白互作网络图,运用Cytoscape软件对网络图进行可视化分析获取关键靶点;DAVID数据库对共有靶点进行GO(gene ontology)和KEGG(Kyoto encyclopedia of genes and genomes)富集分析,通过Cytoscape软件构建血必净注射液"成分-靶点-疾病"网络图。采用AutoDock Tools对血必净注射液核心成分与SARS-CoV-23CL水解酶蛋白和血管紧张素转换酶II(ACE2)进行分子对接,并通过PyMOL软件进行可视化处理。结果:共筛选出血必净注射液中5种药材对应的270个对应靶点,与COVID-19有52个共表达靶点。GO富集分析得到160个生物过程,KEGG分析得到112条信号通路。分子对接表明,血必净注射液中槲皮素、β-谷甾醇、木犀草素为degree较高的活性成分,与3CL水解酶和ACE2具有较强的结合能力。结论:血必净注射液可能通过槲皮素、β-谷甾醇、木犀草素等成分调节IL6、CCL2、TNF、PTGS2等核心基因参与COVID-19的治疗,同时也说明血必净注射液可通过"多成分-多靶点-多途径"发挥对COVID-19的治疗作用。
