A. Garbesi et al., BINDING MODE OF DISTAMYCIN TO D(CGTACGTACG)(2) IN THE 2 1 SOLUTION COMPLEX AS DETERMINED BY 2-DIMENSIONAL H-1-NMR AND MOLECULAR MODELING STUDIES/, Gazzetta chimica italiana, 126(12), 1996, pp. 799-804
Previous UV and CD studies indicated a high affinity of d(CGTACGTACG)(
2), 1, for distamycin, 2, though it does not possess the commonly acce
pted site for this ligand. The binding mode of the drug has now been i
nvestigated by a combination of high-resolution H-1 NMR and molecular
modelling. The structure of the complex contains two molecules of drug
symmetrically placed at the centre along the strands of DNA, spanning
the minor groove with the first two pyrrole rings of one molecule in
close contact with those of the other one.