In silico discovery of 3 novel quercetin derivatives against papain-like protease, spike protein, and 3C-like protease of SARS-CoV-2
Research
[키워드] 3CLpro
Analysis
Anti-inflammatory
antioxidant
Antiviral
antiviral activity
antiviral drug
AutoDock
binding
binding affinity
binding energy
complexes
Compound
conducted
Coordinate
coordinates
coronavirus
COVID-19 disease
database
derivative
docking
domain
drug-likeness
Efficacy
evaluate
filtered
highest
highest binding affinity
identify
immune
Immunity
immunomodulatory
Interaction
Kyoto
Ligand
modulated
modulation
molecular docking
normal
normal mode analysis
Papain-like protease
pathway
physical
PLPro
positive
predicted
protease
Protein
protein-ligand
Proteins
quercetin
quercetin derivatives
Remdesivir
reported
responsible
Result
SARS-CoV-2
scored
Simulation study
Spike protein
stability
Standard
target
was done
was performed
was used
were recorded
[DOI] 10.1186/s43141-022-00314-7 PMC 바로가기 [Article Type] Research
[DOI] 10.1186/s43141-022-00314-7 PMC 바로가기 [Article Type] Research