Journal
INORGANICA CHIMICA ACTA
Volume 357, Issue 1, Pages 285-293Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/S0020-1693(03)00478-X
Keywords
Ru(II) complex; DNA; intercalation mode; density functional theory (DFT); electronic effect
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In order to explore the electronic effects of Ru(II) complexes binding to DNA, a series of Ru(II) complexes [Ru(phen)2 (p-MOPIP)](2+) (1), [Ru(phen)(2) (p-HPIP)](2+) (2), and [Ru(phen)(2)(p-NPIP)](2+) (3) were synthesized and characterized by elementary, H-1 NMR, and ES-MS analysis. The binding properties of these complexes to CT-DNA were investigated with spectroscopic methods and viscosity experiments. Furthermore, the computations for these complexes applying the density functional theory (DFT) method have also been performed. The results show that all of these complexes can well bind to DNA in intercalation mode and DNA-binding affinity of these complexes is greatly influenced by electronic effects of intercalating ligands. The intrinsic binding constants for 1. 2. and 3 are 0.20, 0.69, and 1.56 x 10(5) M-1, respectively. This order is in accordance with that of the electron-withdrawing ability of substituent [-OR < -OH < -NO2]. Such a trend in electronic effects of Ru(II) complexes binding to DNA can be reasonably explained by the DFT calculations. (C) 2003 Elsevier B.V. All rights reserved.
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