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

引用

TMR Integrative Medicine 2021年第25期5卷 1-24页

作者： Wei-Long Jiang Yu-Feng Zhang Meng-Ying Liu Su-Yan Zhang Jun-Xian Xu Min Li Hong Xue Li-Jun Tian Xu-Dong Han Department of Respiratory Medicine Jiangyin Hospital of Traditional Chinese MedicineJiangyin Hospital Affiliated to Nanjing University of Chinese MedicineJiangyin 214400China Department of Pulmonary and Critical Care Medicine Nanjing Drum Tower Hospital Clinical College of Nanjing Medical UniversityNanjing210008China Department of Critical Care Medicine Nantong Third People's HospitalNantong UniversityNantong 226001China Department of Traditional Chinese Medicine Nantong Third People's HospitalNantong UniversityNantongJiangsu 226001China Department of Infectious Disease Nantong Third People's HospitalNantong UniversityNantongJiangsu 226001China

Objective:To explore the mechanism of kangguan decoction in the treatment of coronavirus disease 2019(COVID-19)and then perform preliminary ***:The effective compounds and target genes of kangguan decoction were obtained from Traditional Chinese Medicine Systems Pharmacology Database and Analysis ***-19 related target genes were searched in the GeneCards *** active target genes of kangguan decoction acting on COVID-19 were identified to perform GO function enrichment and KEGG pathway enrichment *** compound-target network and protein-protein interaction were constructed;Molecular docking simulations of macromolecular protein target receptors and their corresponding compounds were *** clinical data of COVID-19 patients were retrieved from their electronic medical records of Nantong Third People's ***:We screened out 137 effective compounds and 274 effective target genes of kangguan decoction from *** 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 *** function enrichment and KEGG pathway enrichment analysis were *** compound-target network and PPI network were constructed and the key compounds and key targets were selected to construct a key compound-target ***,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 ***: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.

关键词： kangguan decoction Coronavirus disease 2019 Network pharmacology Molecular docking Clinical efficacy Quercetin PTGS2 Interleukin-6

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