Objective:To explore the prevention mechanism of an anti-epidemic sachet on the new coronavirus pneumonia(COVID-19)based on the network pharmacology and molecular docking method.Methods:The chemical constituents and a...Objective:To explore the prevention mechanism of an anti-epidemic sachet on the new coronavirus pneumonia(COVID-19)based on the network pharmacology and molecular docking method.Methods:The chemical constituents and action targets of wormwood leaves,white peony,borneol,Rhizoma atracylodis,and Herba pogostemonis in the epidemic-preventive sachet were retrieved in TCMSP database.Query the genes of targets through the Uniprot database,and then use Cytoscape 3.7.2 software to build a medicinal drugs-active ingredients-targets(genes)network for visualization.Then we used DAVID to perform gene ontology(GO)function enrichment analysis and genome encyclopedia(KEGG)pathway analysis to predict the mechanisms of action.Draw histograms and bubble charts for visualization with Excel software and Omicshare database.The crystal structure of ACE2 was searched in the RCSB PDB database,and the compounds and proteins were molecularly docked with the help of PyMOL,AutoDockTool,and Vina software.Results:Sixty-seven effective chemical components in the anti-epidemic sachet were screened and a drugs-chemical components-targets network was constructed to obtain 948 targets,and 18 core targets and 28 core target pathways were predicted.6 compounds in Folium artemisiae argyi,13 compounds in Radix angelicae dahuricae,3 compounds in Rhizoma atracylodis,4 compounds in Fructus tsaoko,8 compounds in Herba pogostemonis,and 3 compounds in Rhizoma acori talarinowii have less binding energy with 1R42 than the ligand.Conclusion:It is predicted that the anti-epidemic sachet has prevention effects on new coronavirus pneumonia.展开更多
From ancient times to the present,the plague has had a huge impact on human life.Traditional Chinese medicine has also accumulated valuable epidemic prevention theories and methods from the practice of anti-epidemic,a...From ancient times to the present,the plague has had a huge impact on human life.Traditional Chinese medicine has also accumulated valuable epidemic prevention theories and methods from the practice of anti-epidemic,and formed a unique epidemic prevention thinking.Chinese medicine is good at using the thinking of the three talents of heaven,earth and human beings to adjust the epidemic situation according to the time and place,and uses the thinking of five transports and six qi to predict the development trend of the epidemic and guide the clinical treatment rules.Physicians of later generations summed up the characteristics of epidemics and put forward many theories and ideas of traditional Chinese medicine for epidemic prevention,including Wu Youxing's theory of suffocating qi and the thinking of dialectical treatment of Jiu Chuan,the differentiation and treatment method of Wei qi and nourishing blood of rotten throat Dansha,and the essence of grasping the essence of Lingnan famous Chinese medicine.Deng Tietao's thoughts on the diagnosis and treatment of SARS in the fight against SARS,etc.This article will summarize the thinking theories of traditional Chinese medicine for epidemic prevention and control and China's traditional epidemic prevention measures,and give an overview and explanation in combination with the current domestic new coronavirus prevention and control work.展开更多
文摘Objective:To explore the prevention mechanism of an anti-epidemic sachet on the new coronavirus pneumonia(COVID-19)based on the network pharmacology and molecular docking method.Methods:The chemical constituents and action targets of wormwood leaves,white peony,borneol,Rhizoma atracylodis,and Herba pogostemonis in the epidemic-preventive sachet were retrieved in TCMSP database.Query the genes of targets through the Uniprot database,and then use Cytoscape 3.7.2 software to build a medicinal drugs-active ingredients-targets(genes)network for visualization.Then we used DAVID to perform gene ontology(GO)function enrichment analysis and genome encyclopedia(KEGG)pathway analysis to predict the mechanisms of action.Draw histograms and bubble charts for visualization with Excel software and Omicshare database.The crystal structure of ACE2 was searched in the RCSB PDB database,and the compounds and proteins were molecularly docked with the help of PyMOL,AutoDockTool,and Vina software.Results:Sixty-seven effective chemical components in the anti-epidemic sachet were screened and a drugs-chemical components-targets network was constructed to obtain 948 targets,and 18 core targets and 28 core target pathways were predicted.6 compounds in Folium artemisiae argyi,13 compounds in Radix angelicae dahuricae,3 compounds in Rhizoma atracylodis,4 compounds in Fructus tsaoko,8 compounds in Herba pogostemonis,and 3 compounds in Rhizoma acori talarinowii have less binding energy with 1R42 than the ligand.Conclusion:It is predicted that the anti-epidemic sachet has prevention effects on new coronavirus pneumonia.
文摘From ancient times to the present,the plague has had a huge impact on human life.Traditional Chinese medicine has also accumulated valuable epidemic prevention theories and methods from the practice of anti-epidemic,and formed a unique epidemic prevention thinking.Chinese medicine is good at using the thinking of the three talents of heaven,earth and human beings to adjust the epidemic situation according to the time and place,and uses the thinking of five transports and six qi to predict the development trend of the epidemic and guide the clinical treatment rules.Physicians of later generations summed up the characteristics of epidemics and put forward many theories and ideas of traditional Chinese medicine for epidemic prevention,including Wu Youxing's theory of suffocating qi and the thinking of dialectical treatment of Jiu Chuan,the differentiation and treatment method of Wei qi and nourishing blood of rotten throat Dansha,and the essence of grasping the essence of Lingnan famous Chinese medicine.Deng Tietao's thoughts on the diagnosis and treatment of SARS in the fight against SARS,etc.This article will summarize the thinking theories of traditional Chinese medicine for epidemic prevention and control and China's traditional epidemic prevention measures,and give an overview and explanation in combination with the current domestic new coronavirus prevention and control work.
