Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes

This is an Open Access article distributed under the terms of the Creative Commons Attribution License.

Detalhes bibliográficos
Autores: Bergues Pupo, Ana Elisa, Arias-Gonzalez, J. Ricardo, Morón, M. Carmen, Fiasconaro, Alessandro, Falo, Fernando
Tipo de documento: artigo
Estado:Versão publicada
Data de publicação:2015
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositório:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/128839
Acesso em linha:http://hdl.handle.net/10261/128839
Access Level:Acceso aberto
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spelling Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexesBergues Pupo, Ana ElisaArias-Gonzalez, J. RicardoMorón, M. CarmenFiasconaro, AlessandroFalo, FernandoThis is an Open Access article distributed under the terms of the Creative Commons Attribution License.Cations are known to mediate diverse interactions in nucleic acids duplexes but they are critical in the arrangement of four-stranded structures. Here, we use all-atom molecular dynamics simulations with explicit solvent to analyse the mechanical unfolding of representative intramolecular G-quadruplex structures: a parallel, a hybrid and an antiparallel DNA and a parallel RNA, in the presence of stabilising cations. We confirm the stability of these conformations in the presence of K<sup>+</sup> central ions and observe distortions from the tetrad topology in their absence. Force-induced unfolding dynamics is then investigated. We show that the unfolding events in the force-extension curves are concomitant to the loss of coordination between the central ions and the guanines of the G-quadruplex. We found lower ruptures forces for the parallel configuration with respect to the antiparallel one, while the behaviour of the force pattern of the parallel RNA appears similar to the parallel DNA. We anticipate that our results will be essential to interpret the fine structure rupture profiles in stretching assays at high resolution and will shed light on the mechanochemical activity of G-quadruplex-binding machinery.This work was supported by the Spanish DGICYT Projects No. FIS2011-25167 and FIS2014-55867-P, co-financed by FEDER funds, and by the Gobierno de Aragon through the grant E19 to the FENOL group. Work by J.R. A-G. is supported by an Explora grant (MAT2013-49455-EXP) from MINECO. A.E. Bergues-Pupo also acknowledges the financial support of Universidad de Zaragoza and Banco Santander. A.F. acknowledges the EPSRC project GALE EP/K020633/1. Funding for open access charge: Spanish DGICYT Project No. FIS2011-25167, co-financed by FEDER funds. EPSRC project GALE EP/K020633/1.Peer ReviewedOxford University PressEngineering and Physical Sciences Research Council (UK)European CommissionBanco SantanderUniversidad de ZaragozaDirección General de Investigación Científica y Técnica, DGICT (España)Gobierno de AragónMinisterio de Economía y Competitividad (España)Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]2016201620152016info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/128839reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#MINECO/ICTI2013-2016/FIS2014-55867-PMINECO/ICTI2013-2016/MAT2013-49455-EXPhttp://dx.doi.org/10.1093/nar/gkv690Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/1288392026-05-22T06:33:51Z
dc.title.none.fl_str_mv Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes
title Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes
spellingShingle Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes
Bergues Pupo, Ana Elisa
title_short Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes
title_full Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes
title_fullStr Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes
title_full_unstemmed Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes
title_sort Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes
dc.creator.none.fl_str_mv Bergues Pupo, Ana Elisa
Arias-Gonzalez, J. Ricardo
Morón, M. Carmen
Fiasconaro, Alessandro
Falo, Fernando
author Bergues Pupo, Ana Elisa
author_facet Bergues Pupo, Ana Elisa
Arias-Gonzalez, J. Ricardo
Morón, M. Carmen
Fiasconaro, Alessandro
Falo, Fernando
author_role author
author2 Arias-Gonzalez, J. Ricardo
Morón, M. Carmen
Fiasconaro, Alessandro
Falo, Fernando
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Engineering and Physical Sciences Research Council (UK)
European Commission
Banco Santander
Universidad de Zaragoza
Dirección General de Investigación Científica y Técnica, DGICT (España)
Gobierno de Aragón
Ministerio de Economía y Competitividad (España)
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
description This is an Open Access article distributed under the terms of the Creative Commons Attribution License.
publishDate 2015
dc.date.none.fl_str_mv 2015
2016
2016
2016
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/128839
url http://hdl.handle.net/10261/128839
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
#PLACEHOLDER_PARENT_METADATA_VALUE#
MINECO/ICTI2013-2016/FIS2014-55867-P
MINECO/ICTI2013-2016/MAT2013-49455-EXP
http://dx.doi.org/10.1093/nar/gkv690
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Oxford University Press
publisher.none.fl_str_mv Oxford University Press
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
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