Screening of Natural Products Targeting SARS-CoV-2–ACE2 Receptor Interface – A MixMD Based HTVS Pipeline
Chemistry
[키워드] ACE2
acute respiratory syndrome
applied
binding
caused
classical
complexes
compounds
conformation
coronavirus
COVID-19
COVID-19 infection
COVID-19 pandemic
domain
effective
expected
Health
highest binding affinity
host cell
human cell
identify
inhibitor
Interaction
interface
interfere
MD simulation
mixed solvent molecular dynamics simulation
Molecular dynamics simulation
natural
natural product
Potential
predicted
Prevent
probe
product
Protein
protocol
RBD-ACE2
receptor
replicate
S-protein
SARS-CoV-2
SARS-CoV-2 entry
SARS-COV-2 infection
Screening
selected
solvent
spike
Spike protein
stability
Support
targeting
Vaccines
Virtual screening
virus entry
were used
[DOI] 10.3389/fchem.2020.589769 PMC 바로가기 [Article Type] Chemistry
[DOI] 10.3389/fchem.2020.589769 PMC 바로가기 [Article Type] Chemistry