Two metal complexes of 2,2′:6′,2″-terpyridine (terpy), i.e. Cd(terpy)Cl2 and Ni(terpy)Cl2·3H2O, have been prepared and extensively characterized. The interaction of Cd(terpy)Cl2 with synthetic DNA models, poly(dA-dT)·poly(dA-dT) (polyAT) and poly(dG-dC)·poly(dG-dC) (polyGC), has been studied by CD, fluorescence and UV-vis electronic absorption spectroscopy at several metal/polynucleotide-phosphate ratios and for different NaCl concentrations. All the experimental results indicate an intercalative mechanism of interaction. The optimized geometry of the cadmium complex intercalated between the sixth and seventh base pairs of (AT) and (GC) dodecanucleotide duplexes, obtained by quantum mechanics/molecular mechanics (QM/MM) calculations, lends support to the proposed mechanism. The calculated models provide some additional structural details of the intercalation complex at the molecular level. To evidence the influence of the charge and geometry of the metal complex on the mechanism of interaction with polynucleotides, the nickel complex-polyAT system has been studied to some extent by means of CD and UV-vis spectroscopy, and by thermal melting experiments. The results suggest that the octahedral complex cation [Ni(terpy)(H2O)2Cl]+ interacts with polyAT by partial intercalation assisted by electrostatic interaction with the negative charges of the backbone phosphate groups.

Interaction of Cd(II) and Ni(II) terpyridine complexes with model polynucleotides: a multidisciplinary approach / Giustini, Mauro; Barone, Giampaolo; Gennaro, G.; Giuliani, A. M.. - In: RSC ADVANCES. - ISSN 2046-2069. - STAMPA. - 6:6(2016), pp. 4936-4945. [10.1039/c5ra24919h]

Interaction of Cd(II) and Ni(II) terpyridine complexes with model polynucleotides: a multidisciplinary approach

Giustini, Mauro;
2016

Abstract

Two metal complexes of 2,2′:6′,2″-terpyridine (terpy), i.e. Cd(terpy)Cl2 and Ni(terpy)Cl2·3H2O, have been prepared and extensively characterized. The interaction of Cd(terpy)Cl2 with synthetic DNA models, poly(dA-dT)·poly(dA-dT) (polyAT) and poly(dG-dC)·poly(dG-dC) (polyGC), has been studied by CD, fluorescence and UV-vis electronic absorption spectroscopy at several metal/polynucleotide-phosphate ratios and for different NaCl concentrations. All the experimental results indicate an intercalative mechanism of interaction. The optimized geometry of the cadmium complex intercalated between the sixth and seventh base pairs of (AT) and (GC) dodecanucleotide duplexes, obtained by quantum mechanics/molecular mechanics (QM/MM) calculations, lends support to the proposed mechanism. The calculated models provide some additional structural details of the intercalation complex at the molecular level. To evidence the influence of the charge and geometry of the metal complex on the mechanism of interaction with polynucleotides, the nickel complex-polyAT system has been studied to some extent by means of CD and UV-vis spectroscopy, and by thermal melting experiments. The results suggest that the octahedral complex cation [Ni(terpy)(H2O)2Cl]+ interacts with polyAT by partial intercalation assisted by electrostatic interaction with the negative charges of the backbone phosphate groups.
2016
DNA-binding; circular-dichroism; chelate complexes
01 Pubblicazione su rivista::01a Articolo in rivista
Interaction of Cd(II) and Ni(II) terpyridine complexes with model polynucleotides: a multidisciplinary approach / Giustini, Mauro; Barone, Giampaolo; Gennaro, G.; Giuliani, A. M.. - In: RSC ADVANCES. - ISSN 2046-2069. - STAMPA. - 6:6(2016), pp. 4936-4945. [10.1039/c5ra24919h]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/869884
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