Optimization Rules for SARS-CoV-2 M pro Antivirals: Ensemble Docking and Exploration of the Coronavirus Protease Active Site
Article
[키워드] 6LU7
accession number
aliphatic
antivirals
assist
average
Bank
binding
binding affinity
Bioactivity
Compound
compounds
Coronaviruses
COVID-19
crystal structures
current
described
determine
develop
docked
docking
docking score
drug candidates
effort
Epidemic
exploration
feature
greater
Health
hydrophobic
increase in
inhibitor
inhibitor design
Interaction
M pro
magnitude
molecular
molecular docking
molecular docking studies
molecular dynamics
molecular interactions
optimization
pandemic
Pandemics
PDB
preference
produced
producing
protease
Protease inhibitor
Research
residues
resulting
rule
SARS-CoV-2
SARS-CoV-2 Mpro
SARS-CoV-2 main protease
Site
targets
the SARS-CoV-2
therapeutic
utility
Vaccine
viral infection
[DOI] 10.3390/v12090942 PMC 바로가기 [Article Type] Article
[DOI] 10.3390/v12090942 PMC 바로가기 [Article Type] Article