The effect of chemical modification of DNA base on binding of Hg.sup.II./sup. and Ag.sup.I./sup. in metal-mediated base pairs

0502365 - FZÚ 2019 RIV NL eng J - Článek v odborném periodiku
Šebera, Jakub - Tanaka, Y. - Ono, A. - Sychrovský, V.
The effect of chemical modification of DNA base on binding of Hg^II and Ag^I in metal-mediated base pairs.
Inorganica chimica acta. Roč. 452, Oct (2016), s. 199-204. ISSN 0020-1693. E-ISSN 1873-3255
Institucionální podpora: RVO:68378271
Klíčová slova: DFT * NMR parameters * metallo-base pair * Hg * Ag
Obor OECD: Biophysics
Impakt faktor: 2.002, rok: 2016

The Gibbs free energy of formation of metallo-base pair was calculated for the base pairs composed of T, U, F, CN, C and I nucleosides and HgII and AgI metals. The stability of Hg-mediated base pairs gradually decreased owing to the F and CN chemical modification of thymine at carbon C5 and owing to the imino to imidazole change of N3 nitrogen atom linked with HgII. The prevalence of AgI-stabilization versus HgII-stabilization was calculated for the metallo-base pairs composed of T, U, F, CN, C and I nucleosides where nucleophilicity of N3 nitrogen atom gradually decreased. The calculated relative stabilizations of metallo-base pairs agreed qualitatively with the increase in melting temperatures measured previously for respective duplexes upon adding HgII and AgI metals.
Trvalý link: http://hdl.handle.net/11104/0294308