Computational Simulations Identified Marine-Derived Natural Bioactive Compounds as Replication Inhibitors of SARS-CoV-2
Microbiology
[키워드] 3CL pro
3CLcpsdummypro
accelerate
acute respiratory syndrome
Analysis
analyzed
approach
binding affinity
binding free energy
caused
complexes
Compound
coronavirus
COVID-19
database
disease
displaying
docking
docking score
drug
Drug discovery
effective
evaluated
FIVE
health emergency
Identified
in silico
In vitro studies
inhibitor
interactions
MM/PBSA binding free energy
MNP
molecular
molecular docking
Molecular dynamics simulation
molecular dynamics simulations (MD)
molecular interaction
natural
pharmacokinetic
pharmacokinetic properties
PLcpsdummypro
product
Protein
Proteins
RdRP
Replication
repurposing
required
Research
residue
SARS-CoV-2
SARS-COV-2 infection
SARS-CoV-2 virus
Simulation
small molecule
spread of COVID-19
stability
target protein
the SARS-CoV-2 virus
[DOI] 10.3389/fmicb.2021.647295 PMC 바로가기 [Article Type] Microbiology
[DOI] 10.3389/fmicb.2021.647295 PMC 바로가기 [Article Type] Microbiology