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-2323869
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.Copyright © 2020 Publication Centre of Anhui Medical University. All rights reserved.
angiotensin converting enzyme II; covid-19; Maxingganshi decoction; molecular docking; network pharmacology; SARS-CoV-2; article; coronavirus disease 2019/dt [Drug Therapy]; drug development; functional enrichment analysis; gene ontology; human; interleukin signaling; kegg; pathway enrichment analysis; Pi3K/Akt signaling; protein interaction; Severe acute respiratory syndrome coronavirus 2; TCR signaling; TNF signaling; androgen receptor/ec [Endogenous Compound]; angiotensin converting enzyme 2/ec [Endogenous Compound]; Chinese medicinal formula/dt [Drug Therapy]; Chinese medicinal formula/pd [Pharmacology]; estrogen receptor alpha/ec [Endogenous Compound]; glabridin/dt [Drug Therapy]; glabridin/pd [Pharmacology]; inducible nitric oxide synthase/ec [Endogenous Compound]; kaempferol/dt [Drug Therapy]; kaempferol/pd [Pharmacology]; nuclear receptor coactivator 2/ec [Endogenous Compound]; peroxisome proliferator activated receptor gamma/ec [Endogenous Compound]; prostaglandin synthase/ec [Endogenous Compound]; quercetin/dt [Drug Therapy]; quercetin/pd [Pharmacology]; unclassified drug
Full text:
Available
Collection:
Databases of international organizations
Database:
EMBASE
Type of study:
Prognostic study
Language:
Chinese
Journal:
Chinese Pharmacological Bulletin
Year:
2020
Document Type:
Article
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