About: Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications

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About: Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://dx.doi.org/10.1039/C4CP00541D
Description	Guanine DNA quadruplexes are interesting and important biological objects because they represent potential targets for regulatory drugs. Their use as building blocks for biomaterial applications is also being investigated. This contribution reports the in silico design of artificial building blocks derived from xanthine. Methods of quantum chemistry were used to evaluate the properties of xanthine structures relative to those containing guanine, the natural reference used. Tailoring the xanthine core showed that the base stacking and the ion coordination were significantly enhanced in the designed systems, while the ion-transport properties were not affected. Our study suggests that the 9-deaza-8-haloxanthine bases (where the halogen is fluorine or chlorine) is highly promising candidate for the development of artificial quadruplexes and quadruplex-active ligands. Guanine DNA quadruplexes are interesting and important biological objects because they represent potential targets for regulatory drugs. Their use as building blocks for biomaterial applications is also being investigated. This contribution reports the in silico design of artificial building blocks derived from xanthine. Methods of quantum chemistry were used to evaluate the properties of xanthine structures relative to those containing guanine, the natural reference used. Tailoring the xanthine core showed that the base stacking and the ion coordination were significantly enhanced in the designed systems, while the ion-transport properties were not affected. Our study suggests that the 9-deaza-8-haloxanthine bases (where the halogen is fluorine or chlorine) is highly promising candidate for the development of artificial quadruplexes and quadruplex-active ligands. (en)
Title	Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications (en)
skos:prefLabel	Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications (en)
skos:notation	RIV/00216224:14740/14:00075618!RIV15-MSM-14740___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(ED1.1.00/02.0068)
http://linked.open...iv/cisloPeriodika	29
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Kulhánek, Petr Marek, Radek Novotný, Jan Yurenko, Yevgen
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Středoevropský technologický institut
http://linked.open...dnocenehoVysledku	49272
http://linked.open...ai/riv/idVysledku	RIV/00216224:14740/14:00075618
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Quadruplex; DNA; guanine; xanthine; 9-deaza-8-haloxanthine; density-functional theory; hydrogen-bonding; stacking; ion coordination; formation energy (en)
http://linked.open.../riv/klicoveSlovo	guanine DNA stacking 9-deaza-8-haloxanthine Quadruplex xanthine formation energy density-functional theory ion coordination hydrogen-bonding
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[F8CB90FFA0FE]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	4 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Central european institute of technology
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	16
http://linked.open...iv/tvurceVysledku	Kulhánek, Petr Marek, Radek Novotný, Jan Yurenko, Yevgen
http://linked.open...ain/vavai/riv/wos	000339173700023
issn	1463-9076
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1039/C4CP00541D
http://localhost/t...ganizacniJednotka	14740

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