NOVOTNÝ, Jan, Yevgen YURENKO, Petr KULHÁNEK and Radek MAREK. Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2014, vol. 16, No 29, p. 15241-15248. ISSN 1463-9076. doi:10.1039/C4CP00541D.
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Basic information
Original name Tailoring the Properties of Quadruplex Nucleobases for Biological and Nanomaterial Applications
Authors NOVOTNÝ, Jan (203 Czech Republic, belonging to the institution), Yevgen YURENKO (804 Ukraine, belonging to the institution), Petr KULHÁNEK (203 Czech Republic, belonging to the institution) and Radek MAREK (203 Czech Republic, guarantor, belonging to the institution).
Edition Physical Chemistry Chemical Physics, Cambridge, Royal Society of Chemistry, 2014, 1463-9076.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10403 Physical chemistry
Country of publisher United Kingdom of Great Britain and Northern Ireland
Confidentiality degree is not subject to a state or trade secret
WWW DOI: 10.1039/C4CP00541D
Impact factor Impact factor: 4.493
RIV identification code RIV/00216224:14740/14:00075618
Organization unit Central European Institute of Technology
UT WoS 000339173700023
Keywords in English Quadruplex; DNA; guanine; xanthine; 9-deaza-8-haloxanthine; density-functional theory; hydrogen-bonding; stacking; ion coordination; formation energy
Tags kontrola MP, rivok
Tags International impact, Reviewed
Changed by Changed by: Mgr. Marie Šípková, DiS., učo 437722. Changed: 10/12/2019 09:29.
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.
ED1.1.00/02.0068, research and development projectName: CEITEC - central european institute of technology
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