BLAST, Basic Local Alignment Search Tool

[키워드] energy pressure volume 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 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 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
[DOI] 10.1016/j.toxrep.2020.12.013 PMC 바로가기 [Article Type] Regular Article