Molecular modeling of the binding mode of chiral metal complexes δ- and ∧-[Co(phen)2dppz]3+with B-DNA |
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Authors: | Pin Yang and Daxiong Han |
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Institution: | (1) School of Chemistry, University of Wollongong, Northfields Avenue, Wollongong, NSW, Australia; |
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Abstract: | Molecular modeling methods have been applied to the structural characterization of the interaction between chiral metal complexes Co(phen)2dppz]3+ (where phen = 1, 10-phenanthroline, dppz = dipyrido3,2-a: 2′, 3′ -c]phenazine) and the oligonucleotide (B-DNA fragment). The natures of two kinds of the binding modes, which are currently intense controversy, have been explored. Barton proposed that there is enantio-selective DNA binding by the octahedral complexes and intercalative access by these complexes from the major groove; but Norden suggested that both enantiomers bind extremely strongly to DNA from the minor groove without any noticeable enantio-selectivity. Our results support and extend structural models based upon Norden’s studies, and conflict with Barton’ model. |
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