Flavonoids in Ampelopsis grossedentata as covalent inhibitors of SARS-CoV-2 3CLpro: Inhibition potentials, covalent binding sites and inhibitory mechanisms
Abbreviations
SARS-CoV-2
severe acute respiratory syndrome coronavirus 2
COVID-19
coronavirus disease 2019
3CLpro
Chymotrypsin-like protease
CoVs
coronaviruses
AGE
Ampelopsis grossedentata extract
IC50
half maximal inhibition concentration
EDTA
ethylene diamine tetraacetic acid
DTT
dithiothreitol
IAA
iodoacetamide
PMSF
phenylmethylsulfonyl fluoride
HEPES
2-[4-(2-hydroxyethyl) piperazin-1-yl] ethane sulfonic acid
HCl
hydrochloric acid
NaCl
sodium chloride
DMSO
dimethyl sulfoxide
PBS
potassium phosphate buffer
FRET
fluorescence resonance energy transfer
PDA
photo diode array
TOF-MS/MS
time of flight tandem mass spectrometry
nanoLC-MS/MS
nano liquid chromatography-tandem mass spectrometer
HCD
higher energy collision dissociation
MD
molecular dynamics
QFM
the orthoquinone form of myricetin
ACE2
angiotensin-converting enzyme 2
UGTs
UDP-glucuronosyltransferases
Keywords
SARS-CoV-2 3CLpro
Ampelopsis grossedentata extract
Covalent inhibitors
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© 2021 Published by Elsevier B.V.