Use of network pharmacology and molecular docking to explore the potential mechanism governing the efficacy of Jinhuaqinggan granules in the treatment of novel coronavirus-induced pneumonia  

作　　者：Heng Xu Jin-Min Zhang Yi-Zhuo Qiao Wei Zhang Zi-Tong Fu Qing Zhao 

机构地区：[1]College of Traditional Chinese Medicine,Hebei University Baoding 071000,China

出　　处：《Precision Medicine Research》2020年第2期78-94,共17页精准医学研究

基　　金：supported by the Hebei University Talent Cultivation Project(No.521000981330);2019 Hebei University Undergraduate Innovation and Entrepreneurship Training Project(No.S201910075030).

摘　　要：Background:Now that the epidemic of new coronavirus pneumonia(corona virus disease 2019)is spreading all over the world,Jinhuaqinggan granules in the Chinese treatment plan has been proved to be an effective Chinese patent medicine for the treatment of corona virus disease 2019.Methods:This study aims to clarify the possible therapeutic mechanism governing the efficacy of Jinhuaqinggan granules in the treatment of corona virus disease 2019,through using network pharmacology and molecular docking.During the analysis,227 active components were obtained and screened by using the ADME method.Furthermore,282 Jinhuaqinggan granule targets and 56 common targets with corona virus disease 2019 were gathered from various databases.Then the protein-protein interaction network of Jinhuaqinggan granules and corona virus disease 2019 targets were constructed and 6 core targets were selected through network topology analysis.In addition,A total of 262 biological function annotation entries(P<0.01)and 101 pathways(P<0.01)were obtained by gene ontology functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes pathway analysis.Results:Molecular docking showed that quercetin,luteolin,kaempferol,wogonin and naringin had an affinity for SARS-CoV-23CL hydrolase and angiotensin-converting enzyme 2.Conclusion:corona virus disease 2019 can be prevented by the primary targets of Jinhuaqinggan granules.The most important bioactive components in Jinhuaqinggan granules-quercetin,naringenin,luteolin and wogonin-can play antiviral effect,anti-inflammatory storm,regulate immunity by regulating signal transducers and activators of transcription 1,interleukin 4,interferon-γ,heme oxygenase 1 and acting on the lipopolysaccharide response,toll-like receptor signaling pathway,mitogen-activated protein kinase signaling pathway,etc.

关 键 词：COVID-19 Jinhuaqinggan granules Signaling pathway STAT1 HMOX1 IFNG IL4 

分 类 号：R28[医药卫生—中药学]