Search results for " ion permeation"

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Thermodynamics and kinetics of ion permeation in wild-type and mutated open active conformation of the human α7 nicotinic receptor

2020

Molecular studies of human pentameric ligand-gated ion channels (LGICs) expressed in neurons and at neuromuscular junctions are of utmost importance in the development of therapeutic strategies for neurological disorders. We focus here on the nicotinic acetylcholine receptor nAChR-α7, a homopentameric channel widely expressed in the human brain, with a proven role in a wide spectrum of disorders including schizophrenia and Alzheimer's disease. By exploiting an all-atom structural model of the full (transmembrane and extracellular) protein in the open, agonist-bound conformation we recently developed, we evaluate the free energy and the mean first passage time of single-ion permeation using …

alpha7 Nicotinic Acetylcholine ReceptorProtein ConformationGeneral Chemical EngineeringMutantProtonationLibrary and Information SciencesMolecular Dynamics SimulationReceptors Nicotinic01 natural sciencesArticleMolecular dynamics0103 physical sciencesHumansPotential of mean forceIon channel010304 chemical physicsChemistryWild typeGeneral ChemistryTransmembrane protein0104 chemical sciencesComputer Science Applications010404 medicinal & biomolecular chemistryNicotinic acetylcholine receptorKineticsnicotinic receptor ion permeation Milestoning free energyBiophysicsThermodynamics
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