About: Molecular dynamics of DNA quadruplex molecules containing inosine, 6-thioguanine and 6-thiopurine     Goto   Sponge   NotDistinct   Permalink

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Description
  • The ability of the four-stranded guanine (G)-DNA motif to incorporate nonstandard guanine analogue bases 6-oxopurine (inosine, I), 6-thioguanine (tG), and 8-thiopurine (tl) has been investigated using large-scale molecular dynamics simulations. The simulations suggest that a G-DNA stem can incorporate inosines without any marked effect on its structure and dynamics. In the simulations, the incorporation of 6-thioguanine and 6-thiopurine sharply destabilizes four-stranded G-DNA structures, in close agreement with experimental data. The main reason is the size of the thiogroup leading to considerable steric conflicts and expelling the cations out of the channel of the quadruplex stem. The G-DNA stem can accommodate a single thioguanine base with minor perturbations. Incorporation of a thioguanine quartet layer is associated with a large destabilization of the G-DNA stem whereas the all-thioguanine quadruplex immediately collapses.
  • The ability of the four-stranded guanine (G)-DNA motif to incorporate nonstandard guanine analogue bases 6-oxopurine (inosine, I), 6-thioguanine (tG), and 8-thiopurine (tl) has been investigated using large-scale molecular dynamics simulations. The simulations suggest that a G-DNA stem can incorporate inosines without any marked effect on its structure and dynamics. In the simulations, the incorporation of 6-thioguanine and 6-thiopurine sharply destabilizes four-stranded G-DNA structures, in close agreement with experimental data. The main reason is the size of the thiogroup leading to considerable steric conflicts and expelling the cations out of the channel of the quadruplex stem. The G-DNA stem can accommodate a single thioguanine base with minor perturbations. Incorporation of a thioguanine quartet layer is associated with a large destabilization of the G-DNA stem whereas the all-thioguanine quadruplex immediately collapses. (en)
  • The ability of the four-stranded guanine (G)-DNA motif to incorporate nonstandard guanine analogue bases 6-oxopurine (inosine, I), 6-thioguanine (tG), and 8-thiopurine (tl) has been investigated using large-scale molecular dynamics simulations. The simulations suggest that a G-DNA stem can incorporate inosines without any marked effect on its structure and dynamics. In the simulations, the incorporation of 6-thioguanine and 6-thiopurine sharply destabilizes four-stranded G-DNA structures, in close agreement with experimental data. The main reason is the size of the thiogroup leading to considerable steric conflicts and expelling the cations out of the channel of the quadruplex stem. The G-DNA stem can accommodate a single thioguanine base with minor perturbations. Incorporation of a thioguanine quartet layer is associated with a large destabilization of the G-DNA stem whereas the all-thioguanine quadruplex immediately collapses. (cs)
Title
  • Molecular dynamics of DNA quadruplex molecules containing inosine, 6-thioguanine and 6-thiopurine
  • Molecular dynamics of DNA quadruplex molecules containing inosine, 6-thioguanine and 6-thiopurine (en)
  • Molecular dynamics of DNA quadruplex molecules containing inosine, 6-thioguanine and 6-thiopurine (cs)
skos:prefLabel
  • Molecular dynamics of DNA quadruplex molecules containing inosine, 6-thioguanine and 6-thiopurine
  • Molecular dynamics of DNA quadruplex molecules containing inosine, 6-thioguanine and 6-thiopurine (en)
  • Molecular dynamics of DNA quadruplex molecules containing inosine, 6-thioguanine and 6-thiopurine (cs)
skos:notation
  • RIV/00216224:14310/01:00005556!RIV08-AV0-14310___
http://linked.open.../vavai/riv/strany
  • 455
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA203/00/0633), P(IAA4040903), P(VS96095), Z(AV0Z4040901), Z(AV0Z5004920)
http://linked.open...iv/cisloPeriodika
  • 1
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 687568
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14310/01:00005556
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • STRANDED GUANINE TETRAPLEX; OXYTRICHA TELOMERIC DNA; MESH EWALD METHOD; G-C REPEATS; CRYSTAL-STRUCTURE; FORCE-FIELD; BASE-PAIRS; AB-INITIO; G-QUARTET; STABLE TRAJECTORIES (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [831037F5FDBF]
http://linked.open...i/riv/nazevZdroje
  • Biophysical Journal
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 80
http://linked.open...iv/tvurceVysledku
  • Koča, Jaroslav
  • Šponer, Jiří
  • Štefl, Richard
  • Špačková, Naděžda
  • Berger, Imre
http://linked.open...n/vavai/riv/zamer
issn
  • 0006-3495
number of pages
http://localhost/t...ganizacniJednotka
  • 14310
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