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
Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/152797
Title:
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Role of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes
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Author:
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Bergues-Pupo, A.E.
Arias-Gonzalez, J. R.
Moron, M.C.
Fiasconaro, A.
Falo, F.
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UPV Unit:
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Universitat Politècnica de València. Departamento de Física Aplicada - Departament de Física Aplicada
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Issued date:
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Abstract:
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[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 ...[+]
[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.
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Subjects:
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G-quadruplex
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DNA
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RNA
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Cation
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Stability
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Molecular dynamics
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Copyrigths:
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Reconocimiento (by)
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Source:
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Nucleic Acids Research. (issn:
0305-1048
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DOI:
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10.1093/nar/gkv690
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Publisher:
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Oxford University Press
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Publisher version:
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https://doi.org/10.1093/nar/gkv690
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Project ID:
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MINECO/MAT2013-49455-EXP
DGICYT/FIS2011-25167
DGICYT/FIS2014-55867
Gobierno de Aragón/E19
EPSRC/GALE EP/K020633/1
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Thanks:
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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 ...[+]
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.
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Type:
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Artículo
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