A network pharmacology approach to explore the mechanism of Kangguan decoction in the treatment of coronavirus disease 2019 with preliminary verification

TMR Integrative Medicine

article

Wei-Long Jiang¹  Yu-Feng Zhang¹  Meng-Ying Liu²  Su-Yan Zhang³  Jun-Xian Xu³  Min Li⁴  Hong Xue⁵  Li-Jun Tian³  Xu-Dong Han³ 

[1] Department of Respiratory Medicine, Jiangyin Hospital of Traditional Chinese Medicine, Jiangyin Hospital Affiliated to Nanjing University of Chinese Medicine;Department of Pulmonary and Critical Care Medicine, Nanjing Drum Tower Hospital Clinical College of Nanjing Medical University;Department of Critical Care Medicine, Nantong Third People's Hospital, Nantong University;Department of Traditional Chinese Medicine, Nantong Third People's Hospital, Nantong University;Department of Infectious Disease, Nantong Third People's Hospital, Nantong University

关键词: Kangguan decoction;    Coronavirus disease 2019;    Network pharmacology;    Molecular docking;    Clinicalefficacy;    Quercetin;    PTGS2;    Interleukin-6;   

DOI  :  10.53388/TMRIM202105025

学科分类：医学（综合）

来源: TMR publishing group

【 摘 要 】

Objective: To explore the mechanism of Kangguan decoction in the treatment of coronavirus disease 2019(COVID-19) and then perform preliminary verification. Methods: The effective compounds and target genes ofKangguan decoction were obtained from Traditional Chinese Medicine Systems Pharmacology Database andAnalysis Platform. COVID-19 related target genes were searched in the GeneCards database. The active targetgenes of Kangguan decoction acting on COVID-19 were identified to perform GO function enrichment and KEGGpathway enrichment analysis. The compound-target network and protein-protein interaction were constructed;Molecular docking simulations of macromolecular protein target receptors and their corresponding compoundswere performed. The clinical data of COVID-19 patients were retrieved from their electronic medical records ofNantong Third People's Hospital. Results: We screened out 137 effective compounds and 274 effective target genesof Kangguan decoction from TCMSP. The active target genes of Kangguan decoction were compared with theCOVID-19 related target genes, and 63 active target genes for Kangguan decoction acting on COVID-19 wereidentified. GO function enrichment and KEGG pathway enrichment analysis were performed. The compound-targetnetwork and PPI network were constructed and the key compounds and key targets were selected to construct a keycompound-target network. Finally, the binding of the target and its corresponding components was verified bymolecular docking and two clinical cases with obvious clinical efficacy after Kangguan decoction application weredemonstrated. Conclusion: The pharmacological mechanism of Kangguan decoction acting on COVID-19 hasbeen explored, and the active compounds and targets of Kangguan decoction acting on COVID-19 and clinicalefficacy for Kangguan decoction treating COVID-19 patients have been preliminarily verified.

【 授权许可】

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