The CD of ligand-DNA systems. I. Poly(dG-dC) B-DNA.
A systematic theoretical study of the CD of double-stranded poly(dG-dC) and its complexes with small molecules is presented. The intrinsic CD of the polymer and the induced CD of a transition belonging to a molecule bound to DNA are calculated using the matrix method. The calculations show considerable differences between pyrimidine-purine and purine-pyrimidine binding sites, and we find that the induced CD of a groove bound molecule is one order of magnitude stronger than that of an intercalated molecule. The results form a sound basis for interpreting the CD of ligand-DNA systems in terms of molecular geometry, interactions, and spectroscopy.
Lyng
R
R
Department of Physical Chemistry, Chalmers University of Technology, Gothenburg, Sweden.
Rodger
A
A
Nordén
B
B
D002942:Circular Dichroism; D004247:DNA / Q000737:chemistry*; D007364:Intercalating Agents; D008024:Ligands; D009690:Nucleic Acid Conformation; D010618:Phenanthrolines; D011089:Polydeoxyribonucleotides / Q000737:chemistry*
D007364:Intercalating Agents; D008024:Ligands; D010618:Phenanthrolines; D011089:Polydeoxyribonucleotides; C019530:poly(dC-dG); D004247:DNA; C025205:1,10-phenanthroline