Nicotinic cholinergic system and COVID-19: In silico evaluation of nicotinic acetylcholine receptor agonists as potential therapeutic interventions
Regular Article
[키워드] Abstract
Acetylcholine
Acetylcholine-binding protein
ACh, Acetylcholine
AChAcetylcholine
AChBP, Acetylcholine-binding protein
AChBPAcetylcholine-binding protein
acute respiratory distress syndrome
agonist
agonists
Anti-inflammatory
approved
ARDS, acute respiratory distress syndrome
ARDSacute respiratory distress syndrome
Basic Local Alignment Search Tool
binding
BLAST, Basic Local Alignment Search Tool
BLASTBasic Local Alignment Search Tool
Central nervous system
CHARMM, Chemistry at Harvard Macromolecular Mechanics
CHARMMChemistry at Harvard Macromolecular Mechanics
Chemistry at Harvard Macromolecular Mechanics
cholinergic
Cholinergic agonists
clinical manifestation
CNS, Central Nervous System
CNSCentral Nervous System
complexes
condition
constant number
coronavirus
CoV, coronavirus
CoVcoronavirus
COVID-19
DCD, single precision binary FORTRAN
DCDsingle precision binary FORTRAN
disorder
dysregulation
ECD, extracellular domain
ECDextracellular domain
energy
epitope
extracellular domain
glycoprotein
HADDOCK, High Ambiguity Driven protein-protein DOCKing
HADDOCKHigh Ambiguity Driven protein-protein DOCKing
High Ambiguity Driven protein-protein DOCKing
High-mobility group protein 1
HMGB1, High-mobility group protein 1
HMGB1High-mobility group protein 1
homologous
hospitalized COVID-19 patients
Hypothesis
IL, interleukin
ILInterleukin
in vitro
in vivo
Inflammatory
Interaction
interleukin
Jak2, Janus kinases 2
Jak2Janus kinases 2
Janus kinases 2
LBD, Ligand Binding Domain
LBDLigand Binding Domain
lig, ligand
Ligand
Ligand Binding Domain
ligligand
MD, molecular dynamics
MDMolecular Dynamics
MDS, Molecular Dynamics Simulations
MDSMolecular Dynamics Simulations
MERS, Middle East respiratory syndrome
MERSMiddle East Respiratory Syndrome
Middle East respiratory syndrome
molecular dynamics
molecular dynamics simulations
nAChRs, nicotinic acetylcholine receptors
nAChRsnicotinic acetylcholine receptors
NAMD, Nanoscale Molecular Dynamics
NAMDNanoscale Molecular Dynamics
Nanoscale Molecular Dynamics
National Center for Biotechnology Information
NCBI, National Center for Biotechnology Information
NCBINational Center for Biotechnology Information
NCS, Nicotinic Cholinergic System
NCSNicotinic Cholinergic System
neurological
NF-kB, nuclear factor kappa-light-chain-enhancer of activated B cells
NF-kBnuclear factor kappa-light-chain-enhancer of activated B cells
Nicotinic acetylcholine receptors
Nicotinic Cholinergic System
NPT, constant number, pressure, energy
NPTconstant number
nuclear factor kappa-light-chain-enhancer of activated B cells
NVT, constant number, volume, energy
NVTconstant number
pandemic
Particle Mesh Ewald
patients with COVID-19
PDB, Protein Data Bank
PDBProtein Data Bank
PME, Particle Mesh Ewald
PMEParticle Mesh Ewald
pressure
Prevalence
Prevent
PRODIGY, PROtein binDIng enerGY prediction
PRODIGYPROtein binDIng enerGY prediction
PROtein binDIng enerGY prediction
Protein Data Bank
PyMOL, Python Molecule
PyMOLPython Molecule
Python Molecule
RBD, receptor binding domain
RBDReceptor Binding Domain
receptor
Receptor binding domain
RMSD, Root-mean-square deviation
RMSDRoot-mean-square deviation
Root-mean-square deviation
SARS - 2 Spike Subunit 1 protein
SARS-CoV-2
SARS-COV-2 infection
SARS-CoV-2 S1
SARS-CoV-2 S1, SARS - 2 Spike Subunit 1 protein
SARS-CoV-2 S1SARS - 2 Spike Subunit 1 protein
SARS, Severe acute respiratory syndrome
SARSSevere Acute Respiratory Syndrome
Saturation Transfer Difference Nuclear Magnetic Resonance
Scientific community
Severe acute respiratory syndrome
severe COVID-19
severe symptoms
signal transducer and activator of transcription 3
significantly
single precision binary FORTRAN
smoker
smoking
spike
spike glycoprotein
STAT3, signal transducer and activator of transcription 3
STAT3signal transducer and activator of transcription 3
STD NMR, Saturation Transfer Difference Nuclear Magnetic Resonance
STD NMRSaturation Transfer Difference Nuclear Magnetic Resonance
substrate
Symptom
System
the SARS-CoV-2
Therapeutic approach
therapeutic intervention
therapeutic option
TNF, Tumor Necrosis Factor
TNFTumor Necrosis Factor
toxins
triggering
tumor necrosis factor
Visual Molecular Dynamics
VMD, Visual Molecular Dynamics
VMDVisual Molecular Dynamics
Volume
[DOI] 10.1016/j.toxrep.2020.12.013 PMC 바로가기 [Article Type] Regular Article
[DOI] 10.1016/j.toxrep.2020.12.013 PMC 바로가기 [Article Type] Regular Article