| NOVOTNÝ, Jan, Yevgen YURENKO, Petr KULHÁNEK a Radek MAREK. Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2014, roč. 16, č. 29, s. 15241-15248. ISSN 1463-9076. doi:10.1039/C4CP00541D. |
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@article{1184712,
author = {Novotný, Jan and Yurenko, Yevgen and Kulhánek, Petr and Marek, Radek},
article_location = {Cambridge},
article_number = {29},
doi = {http://dx.doi.org/10.1039/C4CP00541D},
keywords = {Quadruplex; DNA; guanine; xanthine; 9-deaza-8-haloxanthine; density-functional theory; hydrogen-bonding; stacking; ion coordination; formation energy},
language = {eng},
issn = {1463-9076},
journal = {Physical Chemistry Chemical Physics},
title = {Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications},
url = {http://dx.doi.org/10.1039/C4CP00541D},
volume = {16},
year = {2014}
}
TY - JOUR
ID - 1184712
AU - Novotný, Jan - Yurenko, Yevgen - Kulhánek, Petr - Marek, Radek
PY - 2014
TI - Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications
JF - Physical Chemistry Chemical Physics
VL - 16
IS - 29
SP - 15241-15248
EP - 15241-15248
PB - Royal Society of Chemistry
SN - 14639076
KW - Quadruplex
KW - DNA
KW - guanine
KW - xanthine
KW - 9-deaza-8-haloxanthine
KW - density-functional theory
KW - hydrogen-bonding
KW - stacking
KW - ion coordination
KW - formation energy
UR - http://dx.doi.org/10.1039/C4CP00541D
L2 - http://dx.doi.org/10.1039/C4CP00541D
N2 - 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.
ER -
NOVOTNÝ, Jan, Yevgen YURENKO, Petr KULHÁNEK a Radek MAREK. Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications. \textit{Physical Chemistry Chemical Physics}. Cambridge: Royal Society of Chemistry, 2014, roč.~16, č.~29, s.~15241-15248. ISSN~1463-9076. doi:10.1039/C4CP00541D.
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