Network analysis and molecular docking of the mechanism of Shengmai decoction in treating patients with severe novel coronavirus pneumonia  

作　　者：Jia-Ting Su Xiao-Ling Li Yu-Ge Huang Hao-Wen Lin Hui Luo Lian-Xiang Luo 

机构地区：[1]The First Clinical College of Guangdong Medical University,Zhanjiang 524000,China [2]Animal Experiment Center of Guangdong Medical University,Zhanjiang 524000,China [3]Affiliated Hospital of Guangdong Medical University,Zhanjiang 524000,China [4]The Marine Biomedical Research Institute,Guangdong Medical University,Zhanjiang 524023,China

出　　处：《Traditional Medicine Research》2021年第4期31-45,共15页TMR传统医学研究

基　　金：the Ph.D.Start-up Fund of Guangdong Medical University(No.B2019016);the Administration of Traditional Chinese Medicine of Guangdong Province(No.20201180);the Science and Technology Special Project of Zhanjiang(No.2019A01009);the Natural Science Foundation of Guangdong Province(No.2016B030309002);the Basic and Applied Basic Research Program of Guangdong Province(No.2019A1515110201);the Educational Commission of Guangdong Province(No.4SG20138G);the Fund of Southern Marine Science and Engineering Guangdong Laboratory(Zhanjiang)(No.ZJW-2019-007).

摘　　要：Background:Studies have shown that,Shengmai injection(Shengmai decoction)which has been included in the diagnosis and treatment of coronavirus disease 2019(COVID-19),is effective in the early treatment of patients with severe COVID-19.However,the mechanism of its intervention in severe stage of COVID-19 at molecular level is still unclear.Therefore,it is necessary to further explore the mechanism of Shengmai decoction in the treatment of patients with severe COVID-19 based on network pharmacology.Methods:The Traditional Chinese Medicine Systems Pharmacology,BATMAN,UniProt databases and the published literatures which contain the reported compounds that have therapeutic effects on COVID-19 were used to screen out the active ingredients and targets of Shengmai decoction,and the“drug-active compound-target”network was constructed.The GeneCards database was used to screen out the targets of COVID-19.The protein-protein interaction network map was constructed by mapping two genes,and the network of active ingredients,targets and disease was constructed using Cytoscape software.Thereafter,Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analyses of the key targets were performed using the Metascape Site Maintenance website and David databases.The Gene Ontology function and Kyoto Encyclopedia of Genes and Genomes pathway enrichment of the mapping targets were analyzed.Results:The active component-target network contained 73 main compounds and 457 targets.The first five main active components(hydroquinone,guanosine,ophiopogon C,ophiopogon B,ophiopogon D)were obtained by topological analysis of 33 common targets.Using the Matthews correlation coefficient algorithm,the key targets included albumin,tumor necrosis factor,and cyclic adenosine response element binding.Compounds in Shengmai decoction were found to have good binding effect and strong interaction with caspase-8,caspase-3,apoptosis regulator Bcl-2,tumor necrosis factor,C-C motif chemokine 3,to inhibit the inflammatory response and improve l

关 键 词：Shengmai decoction Novel coronavirus pneumonia Network pharmacology ANTI-INFLAMMATION Molecular docking 

分 类 号：R73[医药卫生—肿瘤]