Mostrar el registro sencillo del ítem
dc.contributor.author
Yoosefian, Mehdi
dc.contributor.author
Mirhaji, Elnaz
dc.contributor.author
Afshar, Mahboubeh
dc.contributor.author
Juan, Alfredo
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.date.available
2021-10-20T16:09:53Z
dc.date.issued
2020-09-15
dc.identifier.citation
Yoosefian, Mehdi; Mirhaji, Elnaz; Afshar, Mahboubeh; Juan, Alfredo; Molecular dynamics simulations on interaction of ssDNA-causing DM1 with carbon and boron nitride nanotubes to inhibit the formation of CTG repeat secondary structures; Elsevier Science; Applied Surface Science; 524; 15-9-2020; 1-5, 146572
dc.identifier.issn
0169-4332
dc.identifier.uri
http://hdl.handle.net/11336/144492
dc.description.abstract
Exposure of genomic, single-stranded DNA (ssDNA) during transcription and replication creates opportunities for the formation of inappropriate secondary structures. CTG repeat has been shown to form stable secondary structures that are the cause of inherited human genetic disease related to the myotonic dystrophy. Here, we investigated the role of SWCNT and BNNT in preventing CTG repeat using molecular dynamics (MD) simulations. The assessment of the simulations reveals that the ssDNA undergoes rapid conformational changes and wrap around the SWNTs via π-stacking interactions between SWNT’s wall and the nucleobases of the ssDNA. The ssDNA is observed to spontaneously wrap around SWNTs into compact right-handed helice within a few nanoseconds. Helical wrapping is driven by the electrostatic and torsional interactions within the sugar–phosphate backbone that result in ssDNA wrapping from the 3′end to the 5′end. Our computations demonstrate that the binding strength of the ssDNA to the SWCNT is substantially greater than to the BNNT. These findings would enable providing new avenues for therapeutic interventions in of myotonic dystrophy and potentially other triplet repeat disorders.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier Science
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.rights
info:eu-repo/semantics/restrictedAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
BNNT
dc.subject
CTG REPEAT
dc.subject
MYOTONIC DYSTROPHY TYPE 1
dc.subject
SECONDARY STRUCTURE
dc.subject
SWCNT
dc.subject.classification
Otras Nanotecnología
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.subject.classification
Nanotecnología
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.title
Molecular dynamics simulations on interaction of ssDNA-causing DM1 with carbon and boron nitride nanotubes to inhibit the formation of CTG repeat secondary structures
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2021-09-15T15:15:21Z
dc.journal.volume
524
dc.journal.pagination
1-5, 146572
dc.journal.pais
Países Bajos
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Yoosefian, Mehdi. Graduate University Of Advanced Technology; Irán
dc.description.fil
Fil: Mirhaji, Elnaz. Graduate University Of Advanced Technology; Irán
dc.description.fil
Fil: Afshar, Mahboubeh. Graduate University Of Advanced Technology; Irán
dc.description.fil
Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
dc.journal.title
Applied Surface Science
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.apsusc.2020.146572
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0169433220313295
Archivos asociados