Flavonoids in Ampelopsis grossedentata as covalent inhibitors of SARS-CoV-2 3CLpro: Inhibition potentials, covalent binding sites and inhibitory mechanisms

Flavonoids in Ampelopsis grossedentata as covalent inhibitors of SARS-CoV-2 3CLpro: Inhibition potentials, covalent binding sites and inhibitory mechanisms

Coronavirus 3C-like protease (3CLpro) is a crucial target for treating coronavirus diseases including COVID-19. Our preliminary screening showed that Ampelopsis grossedentata extract (AGE) displayed potent SARS-CoV-2-3CLpro inhibitory activity, but the key constituents with SARS-CoV-2-3CLpro inhibit...

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Bibliographic Details
Main Authors: Ge, G.-B (Author), Guan, X.-Q (Author), Hu, Q. (Author), Qin, X.-Y (Author), Tang, H. (Author), Wang, H.-N (Author), Xiang, Y.-W (Author), Xiong, Y. (Author), Yu, H.-N (Author), Zhang, Y.-N (Author), Zhu, G.-H (Author)
Format: Article
Language:English
Published: Elsevier B.V. 2021
Subjects:
3C Viral Proteases
Ampelopsis
Ampelopsis grossedentata
Ampelopsis grossedentata extract
Antiviral Agents
antivirus agent
Article
binding site
Binding Sites
chemical composition
chemistry
controlled study
coronavirus 3C protease
covalent bond
Covalent inhibitors
cysteine
Cysteine
dihydromyricetin
dose time effect relation
drug effect
ebselen
enzyme inhibition
enzymology
flavonoid
Flavonoids
flavonol derivative
Flavonols
fractionation
herbaceous agent
IC50
isodihydromyricetin
mass spectrometry
Mass Spectrometry
metabolism
Models, Molecular
molecular docking
Molecular Docking Simulation
molecular dynamics
Molecular Dynamics Simulation
molecular model
myricetin
myricitrin
nonhuman
plant extract
Plant Extracts
Protease Inhibitors
protein binding
Protein Binding
protein conformation
Protein Conformation
proteinase inhibitor
purification
reversed phase liquid chromatography
SARS-CoV-2
SARS-CoV-2 3CLpro
Severe acute respiratory syndrome coronavirus 2
taxifolin
unclassified drug
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