Study on active compounds from Maxingganshi decoction for treatment of novel coronavirus pneumonia (COVID-19) based on network pharmacology and molecular docking method
Chinese Pharmacological Bulletin
; 36(9):1309-1316, 2020.
Article
in Chinese
| EMBASE | ID: covidwho-1863006
ABSTRACT
Aim To explore the active compound of Maxingganshi decoction in treatment of novel coronavirus pneumonia(COVID-19). Methods With the help of TCMSP database, the chemical components and action targets of ephedra, almond, licorice, and gypsum in Maxingganshi decoction were searched, and then a C-T network, protein interaction analysis, GO functional enrichment analysis, and KEGG pathway enrichment were constructed. Analysis was performed to predict its mechanism of action. Results A total of 120 compounds in Maxingganshi decoction corresponded to 222 targets. PTGS2, ESR1, PPARG, AR, NOS2, NCOA2 acted on PI3K-Akt signaling pathway, TNF signaling pathway, IL-17 signaling pathway, T cell receptor signaling pathways, etc. The results of molecular docking showed that the affinity of quercetin, kaempferol, glabridin and other core compounds was similar to recommended drugs in treatment of COVID-19. Conclusions The active compounds of Maxingganshi decoction can target multiple pathways to achieve the therapeutic effect of COVID-19.
article; coronavirus disease 2019; human; molecular docking; nonhuman; Pi3K/Akt signaling; Severe acute respiratory syndrome coronavirus 2; signal transduction; systems pharmacology; TCR signaling; therapy effect; TNF signaling; angiotensin converting enzyme 2; cyclooxygenase 2; endogenous compound; estrogen receptor alpha; glabridin; inducible nitric oxide synthase; interleukin 17; kaempferol; nuclear receptor coactivator 2; peroxisome proliferator activated receptor gamma; quercetin; unclassified drug
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Databases of international organizations
Database:
EMBASE
Language:
Chinese
Journal:
Chinese Pharmacological Bulletin
Year:
2020
Document Type:
Article
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