Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F14%3A00075618" target="_blank" >RIV/00216224:14740/14:00075618 - isvavai.cz</a>
Výsledek na webu
<a href="http://dx.doi.org/10.1039/C4CP00541D" target="_blank" >http://dx.doi.org/10.1039/C4CP00541D</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/C4CP00541D" target="_blank" >10.1039/C4CP00541D</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications
Popis výsledku v původním jazyce
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.
Název v anglickém jazyce
Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications
Popis výsledku anglicky
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.
Klasifikace
Druh
J<sub>x</sub> - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
CEP obor
CF - Fyzikální chemie a teoretická chemie
OECD FORD obor
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Návaznosti výsledku
Projekt
<a href="/cs/project/ED1.1.00%2F02.0068" target="_blank" >ED1.1.00/02.0068: CEITEC - central european institute of technology</a><br>
Návaznosti
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Ostatní
Rok uplatnění
2014
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Physical Chemistry Chemical Physics
ISSN
1463-9076
e-ISSN
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Svazek periodika
16
Číslo periodika v rámci svazku
29
Stát vydavatele periodika
GB - Spojené království Velké Británie a Severního Irska
Počet stran výsledku
8
Strana od-do
15241-15248
Kód UT WoS článku
000339173700023
EID výsledku v databázi Scopus
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