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Science in China Series B: Chemistry

, Volume 43, Issue 5, pp 516–523 | Cite as

Molecular modeling of the binding mode of chiral metal complexes δ- and ∧-[Co(phen)2dppz]3+with B-DNA

  • Yang Pin 
  • Han Daxiong 
Article

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 = dipyrido[3,2-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.

Keywords

molecular modeling MM2 forcefield docking B-DNA metal enantiomers 

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Copyright information

© Science in China Press 2000

Authors and Affiliations

  1. 1.Institute of Molecular ScienceShanxi UniversityTaiyuanChina

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