A possible desensitized state conformation of the human α7 nicotinic receptor: A molecular dynamics study

• Published in: Biophysical chemistry Vol. 229; pp. 99 - 109
• Main Authors: Chiodo, L., Malliavin, T.E., Maragliano, L., Cottone, G.
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 01.10.2017
• Subjects: alpha7 Nicotinic Acetylcholine Receptor - agonists; alpha7 Nicotinic Acetylcholine Receptor - chemistry; alpha7 Nicotinic Acetylcholine Receptor - metabolism; Bridged Bicyclo Compounds, Heterocyclic - chemistry; Bridged Bicyclo Compounds, Heterocyclic - metabolism; Desensitized state; Epibatidine; Homology modeling; Humans; Hydrogen Bonding; Ligand-gated ion channel; Molecular dynamics; Molecular Dynamics Simulation; Protein Stability; Protein Structure, Tertiary; Pyridines - chemistry; Pyridines - metabolism; Molecular dynamics; Epibatidine; Ligand-gated ion channel; Desensitized state; Homology modeling

The determination of the conformational states corresponding to diverse functional roles of ligand gated ion channels is subject of intense investigation with various techniques, from X-rays structure determination to electrophysiology and computational modeling. Even with a certain number of struct...