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J Biomol Struct Dyn ; 28(6): 955-68, 2011 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-21469756

RESUMO

A new Ru(II) complex of [Ru(bpy)(2)(Hpip)](2+) {bpy = 2,2'bipyridine; Hppip = 2-(4-(pyridin-2-yl)phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline} has been synthesized by grafting of 2-pyridyl to parent complex [Ru(bpy)(2)(Hpip)](2+) {Hppip = 2-(4-phenyl)-1H-imidazo[4,5-f][1,10]phenanthroline}. The acid-base properties of [Ru(bpy)(2)(Hpip)](2+) studied by UV-visible and luminescence spectrophotometric pH titrations, revealed off-on-off luminescence switching of [Ru(bpy)(2)(Hpip)](2+) that was driven by the protonation/deprotonation of the imidazolyl and the pyridyl moieties. The complex was demonstrated to be a DNA intercalator with an intrinsic DNA binding constant of (5.56 ± 0.2) x 10(5) M-1 in buffered 50 mM NaCl, as evidenced by UV-visible and luminescence titrations, reverse salt effect, DNA competitive binding with ethidium bromide, steady-state emission quenching by [Fe(CN)6]4-, DNA melting experiments and viscosity measurements. The density functional theory method was also used to calculate geometric/electronic structures of the complex in an effort to understand the DNA binding properties. All the studies indicated that the introduction of 2-pyridyl onto Hpip ligand is more favorable for extension of conjugate plane of the main ligand than that of phenyl, and for greatly enhanced ct-DNA binding affinity accordingly.


Assuntos
DNA/química , Substâncias Intercalantes/química , Compostos Organometálicos/química , Fenantrolinas/química , Rutênio/química , Concentração de Íons de Hidrogênio , Substâncias Intercalantes/síntese química , Substâncias Intercalantes/metabolismo , Ligantes , Estrutura Molecular , Desnaturação de Ácido Nucleico , Compostos Organometálicos/síntese química , Compostos Organometálicos/metabolismo , Fenantrolinas/síntese química , Fenantrolinas/metabolismo , Rutênio/metabolismo , Análise Espectral , Termodinâmica
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