Nicotinic cholinergic system and COVID-19: In silico evaluation of nicotinic acetylcholine receptor agonists as potential therapeutic interventions.
Toxicol Rep
; 8: 73-83, 2021.
Article
em En
| MEDLINE
| ID: mdl-33425684
ACh, Acetylcholine; AChBP, Acetylcholine-binding protein; ARDS, acute respiratory distress syndrome; BLAST, Basic Local Alignment Search Tool; CHARMM, Chemistry at Harvard Macromolecular Mechanics; CNS, Central Nervous System; COVID-19; Cholinergic agonists; CoV, coronavirus; DCD, single precision binary FORTRAN; ECD, extracellular domain; HADDOCK, High Ambiguity Driven protein-protein DOCKing; HMGB1, High-mobility group protein 1; IL, Interleukin; Jak2, Janus kinases 2; LBD, Ligand Binding Domain; MD, Molecular Dynamics; MDS, Molecular Dynamics Simulations; MERS, Middle East Respiratory Syndrome; NAMD, Nanoscale Molecular Dynamics; NCBI, National Center for Biotechnology Information; NCS, Nicotinic Cholinergic System; NF-kB, nuclear factor kappa-light-chain-enhancer of activated B cells; NPT, constant number, pressure, energy; NVT, constant number, volume, energy; Nicotinic acetylcholine receptors; PDB, Protein Data Bank; PME, Particle Mesh Ewald; PRODIGY, PROtein binDIng enerGY prediction; PyMOL, Python Molecule; RBD, Receptor Binding Domain; RMSD, Root-mean-square deviation; SARS, Severe Acute Respiratory Syndrome; SARS-CoV-2; SARS-CoV-2 S1, SARS - 2 Spike Subunit 1 protein; STAT3, signal transducer and activator of transcription 3; STD NMR, Saturation Transfer Difference Nuclear Magnetic Resonance; Spike glycoprotein; TNF, Tumor Necrosis Factor; VMD, Visual Molecular Dynamics; lig, ligand; nAChRs, nicotinic acetylcholine receptors
Texto completo:
1
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2021
Tipo de documento:
Article