Molecular modelling study of the netropsin complexation with a nucleic acid triple helix

TitleMolecular modelling study of the netropsin complexation with a nucleic acid triple helix
Publication TypeJournal Article
Year of Publication1996
AuthorsVovelle F, Prévost C, Durand M, Maurizot JC
JournalJ. Biomol. Struct. Dyn.
Volume14
Pagination293–302
Date Publisheddec
Abstract

A detailed molecular mechanical study has been made on the complexes of netropsin with the double stranded oligonucleotide (dA)12.(dT)12 and with the triple helix (dA)12.(dT)12.(dT)12. The complexes were built using computer graphics and energy refined using JUMNA program. In agreement with circular dichroism experiments we have shown that 3 netropsins can bind the minor grooves of the triple helix and of the double helix. The groove geometry in the duplex and in the triplex is very similar. However a detailed analysis of the energetic terms shows, in agreement with thermal denaturation studies, that the affinity of netropsin toward the double helices is larger than towards triple helices.

DOI10.1080/07391102.1996.10508125
Citation Key1996|1660