换一批Nicotinic cholinergic system and COVID-19: <i>In silico</i> evaluation of nicotinic acetylcholine receptor agonists as potential therapeutic interventions.
第一作者：
Nikolaos,Alexandris
第一单位：
Laboratory of Molecular Biology and Immunology, Department of Pharmacy, University of Patras, 26500, Rio-Patras, Greece.
作者：
关键词
ACh, AcetylcholineAChBP, Acetylcholine-binding proteinARDS, acute respiratory distress syndromeBLAST, Basic Local Alignment Search ToolCHARMM, Chemistry at Harvard Macromolecular MechanicsCNS, Central Nervous SystemCOVID-19Cholinergic agonistsCoV, coronavirusDCD, single precision binary FORTRANECD, extracellular domainHADDOCK, High Ambiguity Driven protein-protein DOCKingHMGB1, High-mobility group protein 1IL, InterleukinJak2, Janus kinases 2LBD, Ligand Binding DomainMD, Molecular DynamicsMDS, Molecular Dynamics SimulationsMERS, Middle East Respiratory SyndromeNAMD, Nanoscale Molecular DynamicsNCBI, National Center for Biotechnology InformationNCS, Nicotinic Cholinergic SystemNF-kB, nuclear factor kappa-light-chain-enhancer of activated B cellsNPT, constant number, pressure, energyNVT, constant number, volume, energyNicotinic acetylcholine receptorsPDB, Protein Data BankPME, Particle Mesh EwaldPRODIGY, PROtein binDIng enerGY predictionPyMOL, Python MoleculeRBD, Receptor Binding DomainRMSD, Root-mean-square deviationSARS, Severe Acute Respiratory SyndromeSARS-CoV-2SARS-CoV-2 S1, SARS - 2 Spike Subunit 1 proteinSTAT3, signal transducer and activator of transcription 3STD NMR, Saturation Transfer Difference Nuclear Magnetic ResonanceSpike glycoproteinTNF, Tumor Necrosis FactorVMD, Visual Molecular Dynamicslig, ligandnAChRs, nicotinic acetylcholine receptors
DOI
10.1016/j.toxrep.2020.12.013
PMID
33425684
发布时间
2024-03-30
- 浏览0
Toxicology reports
2021年8卷
73-83页
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