Exploring the mechanism of Platycodonis Radix-Licorice for prevention and treatment of COVID-19 based on network pharmacology and molecular docking
Northwest Pharmaceutical Journal
; 36(6):927-933, 2021.
Article
in Chinese
| CAB Abstracts | ID: covidwho-1904960
ABSTRACT
Objective:
To investigate the possible mechanism of Platycodonis Radix-Licorice drug pair in the intervention of COVID-19 by using network pharmacology and molecular docking technique. Methods The database TCMSP was retrieved for the chemical constituents and targets of Platycodonis Radix-Licorice drug pair. Coronavirus disease targets were screened by the Gene Cards, OMIM,TTD, PharmGkb and DrugBank database. Cytoscape 3.7.2 software was used to construct the drug-component-target network. The PPI(protein-protein interaction) network was obtained by drug-disease intersection targets, and the core genes were found through CytoNCA plug-in. Meanwhile, GO(gene ontology) analysis and KEGG(Kyoto encyclopedia of genes and genomes) pathway analysis were performed by using Bioconductor database to predict the mechanism. AutoDock Tools 1.5.6 software was used to simulate the molecular docking of the main active ingredients with the novel coronavirus key binding site protein [SARS-CoV-2 main protease(severe acute respiratory syndrome coronavirus 2 main protease, Mpro) and ACE2(angiotensin converting enzyme 2)]. Results A total of 7 active ingredients of Platycodonis Radix,92 active ingredients of Licorice,2766 drug targets, and 674 disease targets were obtained, and 67 drug-disease common targets were excavated. The key targets involved RELA,STAT1,MAPK3,TP53,MAPK1,MAPK8,STAT3,MAPK14,IL1 B and TNF by the database STRING and CytoNCA plug-in.Go enrichment analysis showed that the main functions of Platycodonis Radix-Licorice drug pair on the intervention of COVID-19 were antioxidant reaction, cell respond to chemical stress, regulation of apoptotic signaling pathways, reaction to lipopolysaccharides and reaction to bacteria-derived molecules, etc.. KEGG pathways involved Coronavirus disease-COVID-19 pathway, IL-17 signaling pathway and so on, were mainly associated with immune response, inflammation-related pathways, inhibition of viral infection, and other inhibition of cancer. The molecular docking results showed that glepidotin A,quercetin, licochalcone a and luteolin had good binding ability with Mpro and ACE2. Conclusion Platycodonis Radix-Licorice drug pair act on SARS-CoV-2 through multiple components, multiple targets, and multiple channel combination. And the main active ingredients have a fine binding ability with Mpro and ACE2. The method can provide theoretical support for the possibility of traditional Chinese medicine(TCM) against COVID-19.
Prion, Viral, Bacterial and Fungal Pathogens of Humans [VV210]; Pesticides and Drugs; Control [HH405]; Non-food/Non-feed Plant Products [SS200]; Animal and in vitro Models for Pharmaceuticals [VV450]; viral diseases; human diseases; coronavirus disease 2019; genes; gene expression; liquorice; roots; medicinal plants; plant extracts; mitogen-activated protein kinase; interleukin 1; transcription factors; tumour necrosis factor; genetic regulation; apoptosis; signal transduction; antioxidant properties; immune response; quercetin; chalcones; flavonoids; traditional Chinese medicines; Severe acute respiratory syndrome coronavirus 2; man; Glycyrrhiza glabra; Platycodon grandiflorus; Glycyrrhiza; plants; Severe acute respiratory syndrome-related coronavirus; Betacoronavirus; Coronavirinae; Coronaviridae; Nidovirales; positive-sense ssRNA Viruses; ssRNA Viruses; RNA Viruses; viruses; Homo; Hominidae; primates; mammals; vertebrates; Chordata; animals; eukaryotes; Papilionoideae; Fabaceae; Fabales; eudicots; angiosperms; Spermatophyta; Platycodon; Campanulaceae; Asterales; Platycodon grandiflorum; SARS-CoV-2; viral infections; licorice; drug plants; medicinal herbs; officinal plants; cachectin; cachexin; tumor necrosis factor; anti-oxidant properties; radical scavenging properties; immunity reactions; immunological reactions
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Collection:
Databases of international organizations
Database:
CAB Abstracts
Language:
Chinese
Journal:
Northwest Pharmaceutical Journal
Year:
2021
Document Type:
Article
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