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

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

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dc.contributor.author Bergues-Pupo, A.E. es_ES
dc.contributor.author Arias-Gonzalez, J. R. es_ES
dc.contributor.author Moron, M.C. es_ES
dc.contributor.author Fiasconaro, A. es_ES
dc.contributor.author Falo, F. es_ES
dc.date.accessioned 2020-10-22T03:31:55Z
dc.date.available 2020-10-22T03:31:55Z
dc.date.issued 2015-09-03 es_ES
dc.identifier.issn 0305-1048 es_ES
dc.identifier.uri http://hdl.handle.net/10251/152797
dc.description.abstract [EN] 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 analyze the mechanical unfolding of representative intramolecular G-quadruplex structures: a parallel, an hybrid and an antiparallel DNA and a parallel RNA, in the presence of stabilizing cations. We confirm the stability of these conformations in the presence of K+ 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 behavior 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. es_ES
dc.description.sponsorship 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. es_ES
dc.language Inglés es_ES
dc.publisher Oxford University Press es_ES
dc.relation.ispartof Nucleic Acids Research es_ES
dc.rights Reconocimiento (by) es_ES
dc.subject G-quadruplex es_ES
dc.subject DNA es_ES
dc.subject RNA es_ES
dc.subject Cation es_ES
dc.subject Stability es_ES
dc.subject Molecular dynamics es_ES
dc.subject.classification FISICA APLICADA es_ES
dc.title Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1093/nar/gkv690 es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MAT2013-49455-EXP/ES/G-CUADRUPLEX COMO INTERRUPTOR MOLECULAR CONTROLADO POR NANOPARTICULAS Y DEMOSTRADO POR PINZAS OPTICAS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/UKRI//EP%2FK020633%2F1/GB/GALE - Global Accessibility to Local Experience/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MICINN//FIS2011-25167/ES/REDES, BIOFISICA Y CIENCIA NO LINEAL/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//FIS2014-55867-P/ES/SOCIOBIOTEC: FISICA ESTADISITCA Y NO LINEAL APLICADA A SISTEMAS SOCIALES, BIOLOGICOS Y TECNOLOGICOS/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/Gobierno de Aragón//E19/ES/Fisica Estadistica y No Lineal (GEFENOL)/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada es_ES
dc.description.bibliographicCitation Bergues-Pupo, A.; Arias-Gonzalez, JR.; Moron, M.; Fiasconaro, A.; Falo, F. (2015). Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes. Nucleic Acids Research. 43(15):7638-7647. https://doi.org/10.1093/nar/gkv690 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1093/nar/gkv690 es_ES
dc.description.upvformatpinicio 7638 es_ES
dc.description.upvformatpfin 7647 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 43 es_ES
dc.description.issue 15 es_ES
dc.identifier.pmid 26170233 es_ES
dc.identifier.pmcid PMC4551928 es_ES
dc.relation.pasarela S\408014 es_ES
dc.contributor.funder Gobierno de Aragón es_ES
dc.contributor.funder UK Research and Innovation es_ES
dc.contributor.funder Universidad de Zaragoza es_ES
dc.contributor.funder Santander Universidades es_ES
dc.contributor.funder European Regional Development Fund es_ES
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
dc.contributor.funder Engineering and Physical Sciences Research Council, Reino Unido es_ES
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