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dc.contributor.author
Pierdominici Sottile, Gustavo

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Racigh, Vanesa Elizabeth

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Ormazábal, Agustín

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Palma, Juliana Isabel

dc.date.available
2021-06-03T18:16:18Z
dc.date.issued
2019-02
dc.identifier.citation
Pierdominici Sottile, Gustavo; Racigh, Vanesa Elizabeth; Ormazábal, Agustín; Palma, Juliana Isabel; Charge Discrimination in P2X4 Receptors Occurs in Two Consecutive Stages; American Chemical Society; Journal of Physical Chemistry B; 123; 5; 2-2019; 1017-1025
dc.identifier.issn
1520-6106
dc.identifier.uri
http://hdl.handle.net/11336/133156
dc.description.abstract
P2X receptors are a group of trimeric cationic channels that are activated by adenosine 5′-triphosphate. They perform critical roles in the membranes of mammalian cells, and their improper functioning is associated with numerous diseases. Despite the vast amount of research devoted to them, several aspects of their operation are currently unclear, including the causes of their charge selectivity. We present the results of molecular dynamics simulation, which shed light on this issue for the case of P2X4 channels. We examined in detail the behavior of Na+ and Cl- ions inside the receptor. The examination reveals that charge discrimination occurs in two stages. First, cations bear precedence over anions to enter the extracellular vestibule. Then, cations at the extracellular vestibule are more likely to cross the pore than anions in an equivalent position. In this manner, a thorough but straightforward analysis of computational simulations suggests a stepwise mechanism, without a unique determinant factor.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society

dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
P2X receptors
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Molecular dynamics simulations
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Charge discrimination
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Potential of mean force
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Otras Ciencias Químicas

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Ciencias Químicas

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CIENCIAS NATURALES Y EXACTAS

dc.title
Charge Discrimination in P2X4 Receptors Occurs in Two Consecutive Stages
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2020-11-09T19:28:24Z
dc.journal.volume
123
dc.journal.number
5
dc.journal.pagination
1017-1025
dc.journal.pais
Estados Unidos

dc.description.fil
Fil: Pierdominici Sottile, Gustavo. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Racigh, Vanesa Elizabeth. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Ormazábal, Agustín. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Palma, Juliana Isabel. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.journal.title
Journal of Physical Chemistry B

dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/acs.jpcb.8b10249
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.jpcb.8b10249
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