Abstract:
:Computer modelling with an energy minimization procedure is used here to obtain stereochemical and energetic details for complexes of the dye Hoechst 33258 with different oligonucleotide sequences. An optimised model of the dye with d(A)5 X d(T)5 is in conformity with previous proposed models. It has bifurcated hydrogen bonds between N2H and N4H of benzimidazole rings with N3 of adenine and O2 of thymine. Relative binding energies with different oligonucleotides show preference for AT containing sequences, with an intermediate affinity between that for netropsin and distamycin-2. Reduced binding is observed at high ionic concentration. The benzimidazole rings are twisted with respect to the phenol ring in the optimal model. This gives desired curvature to the molecule which is stabilised by intermolecular forces.
journal_name
FEBS Lettjournal_title
FEBS lettersauthors
Gopalakrishna K,Kalia A,Royyuru AK,Mrigank,Atreyi M,Rao MV,Kothekar Vdoi
10.1016/0014-5793(87)80120-5subject
Has Abstractpub_date
1987-05-04 00:00:00pages
95-9issue
1eissn
0014-5793issn
1873-3468journal_volume
215pub_type
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