Chemical composition and pharmacological mechanism of Qingfei Paidu Decoction and Ma Xing Shi Gan Decoction against Coronavirus Disease 2019 (COVID-19): In silico and experimental study.
Animals
Anti-Inflammatory Agents
/ analysis
Betacoronavirus
/ drug effects
COVID-19
Cells, Cultured
Computer Simulation
Coronavirus Infections
/ drug therapy
Drugs, Chinese Herbal
/ analysis
Gene Expression
/ drug effects
Glycyrrhizic Acid
/ pharmacology
Humans
Interleukin-6
/ metabolism
Lipopeptides
/ antagonists & inhibitors
Lipopolysaccharides
Male
Pandemics
Pneumonia
/ chemically induced
Pneumonia, Viral
/ drug therapy
Rats
SARS-CoV-2
Signal Transduction
/ drug effects
Thrombin
/ metabolism
Toll-Like Receptors
/ metabolism
Amygdalin (PubChem CID: 656516)
Baicalin (PubChem CID: 64982)
Corona virus disease 2019
Ephedrine (PubChem CID: 9294)
Glycyrrhizic acid (PubChem CID: 14982)
Hesperidin (PubChem CID: 10621)
Ma Xing Shi Gan Decoction
Narirutin (PubChem CID: 442431)
Neohesperidin (PubChem CID: 442439)
Network pharmacology
Qingfei Paidu Decoction
Traditional Chinese medicine
Journal
Pharmacological research
ISSN: 1096-1186
Titre abrégé: Pharmacol Res
Pays: Netherlands
ID NLM: 8907422
Informations de publication
Date de publication:
07 2020
07 2020
Historique:
received:
29
03
2020
revised:
05
04
2020
accepted:
07
04
2020
pubmed:
4
5
2020
medline:
1
7
2020
entrez:
4
5
2020
Statut:
ppublish
Résumé
The Coronavirus Disease 2019 (COVID-19) pandemic has become a huge threaten to global health, which raise urgent demand of developing efficient therapeutic strategy. The aim of the present study is to dissect the chemical composition and the pharmacological mechanism of Qingfei Paidu Decoction (QFPD), a clinically used Chinese medicine for treating COVID-19 patients in China. Through comprehensive analysis by liquid chromatography coupled with high resolution mass spectrometry (MS), a total of 129 compounds of QFPD were putatively identified. We also constructed molecular networking of mass spectrometry data to classify these compounds into 14 main clusters, in which exhibited specific patterns of flavonoids (45 %), glycosides (15 %), carboxylic acids (10 %), and saponins (5 %). The target network model of QFPD, established by predicting and collecting the targets of identified compounds, indicated a pivotal role of Ma Xing Shi Gan Decoction (MXSG) in the therapeutic efficacy of QFPD. Supportively, through transcriptomic analysis of gene expression after MXSG administration in rat model of LPS-induced pneumonia, the thrombin and Toll-like receptor (TLR) signaling pathway were suggested to be essential pathways for MXSG mediated anti-inflammatory effects. Besides, changes in content of major compounds in MXSG during decoction were found by the chemical analysis. We also validate that one major compound in MXSG, i.e. glycyrrhizic acid, inhibited TLR agonists induced IL-6 production in macrophage. In conclusion, the integration of in silico and experimental results indicated that the therapeutic effects of QFPD against COVID-19 may be attributed to the anti-inflammatory effects of MXSG, which supports the rationality of the compatibility of TCM.
Identifiants
pubmed: 32360484
pii: S1043-6618(20)31128-2
doi: 10.1016/j.phrs.2020.104820
pmc: PMC7194979
pii:
doi:
Substances chimiques
Anti-Inflammatory Agents
0
Drugs, Chinese Herbal
0
Interleukin-6
0
Lipopeptides
0
Lipopolysaccharides
0
Pam(3)CSK(4) peptide
0
Toll-Like Receptors
0
maxingshigan
0
qingfei paidu decoction
0
Glycyrrhizic Acid
6FO62043WK
Thrombin
EC 3.4.21.5
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
104820Informations de copyright
Copyright © 2020 Elsevier Ltd. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of Competing Interest The authors declare there are no known conflicts of interest associated with this publication and there has been no significant financial support for this work that could have influenced its outcome.
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