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 of Kangguan dec...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 of Kangguan decoction were obtained from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.COVID-19 related target genes were searched in the GeneCards database.The active target genes of Kangguan decoction acting on COVID-19 were identified to perform GO function enrichment and KEGG pathway enrichment analysis.The compound-target network and protein-protein interaction were constructed;Molecular docking simulations of macromolecular protein target receptors and their corresponding compounds were performed.The clinical data of COVID-19 patients were retrieved from their electronic medical records of Nantong Third People's Hospital.Results:We screened out 137 effective compounds and 274 effective target genes of Kangguan decoction from TCMSP.The active target genes of Kangguan decoction were compared with the COVID-19 related target genes,and 63 active target genes for Kangguan decoction acting on COVID-19 were identified.GO function enrichment and KEGG pathway enrichment analysis were performed.The compound-target network and PPI network were constructed and the key compounds and key targets were selected to construct a key compound-target network.Finally,the binding of the target and its corresponding components was verified by molecular docking and two clinical cases with obvious clinical efficacy after Kangguan decoction application were demonstrated.Conclusion:The pharmacological mechanism of Kangguan decoction acting on COVID-19 has been explored,and the active compounds and targets of Kangguan decoction acting on COVID-19 and clinical efficacy for Kangguan decoction treating COVID-19 patients have been preliminarily verified.展开更多
基金the Research Grant of Jiangyin Hospital of Traditional Chinese Medicine(202013 to Jiang and 202014 to Zhang)the Nantong Science and Technology Bureau Plan Project(grant XG202003-4 to Li,grant XG202003-3 to Han).
文摘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 of Kangguan decoction were obtained from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform.COVID-19 related target genes were searched in the GeneCards database.The active target genes of Kangguan decoction acting on COVID-19 were identified to perform GO function enrichment and KEGG pathway enrichment analysis.The compound-target network and protein-protein interaction were constructed;Molecular docking simulations of macromolecular protein target receptors and their corresponding compounds were performed.The clinical data of COVID-19 patients were retrieved from their electronic medical records of Nantong Third People's Hospital.Results:We screened out 137 effective compounds and 274 effective target genes of Kangguan decoction from TCMSP.The active target genes of Kangguan decoction were compared with the COVID-19 related target genes,and 63 active target genes for Kangguan decoction acting on COVID-19 were identified.GO function enrichment and KEGG pathway enrichment analysis were performed.The compound-target network and PPI network were constructed and the key compounds and key targets were selected to construct a key compound-target network.Finally,the binding of the target and its corresponding components was verified by molecular docking and two clinical cases with obvious clinical efficacy after Kangguan decoction application were demonstrated.Conclusion:The pharmacological mechanism of Kangguan decoction acting on COVID-19 has been explored,and the active compounds and targets of Kangguan decoction acting on COVID-19 and clinical efficacy for Kangguan decoction treating COVID-19 patients have been preliminarily verified.
