title: A molecular model for proflavine-DNA intercalation.
abstract: A molecular model has been derived for the intercalation of proflavine into the CpG site of the decamer duplex of d(GATACGATAC). The starting geometry of the intercalation site was taken from previous crystallographic studies on the d(CpG)-proflavine complex, and molecular mechanics used to obtain a stereochemically acceptable structure. This has widened grooves compared to standard A- or B- double helices, as well as distinct conformational, roll, twist and tilt features.
authors.affiliation: Cancer Research Campaign Biomolecular Structure Unit, Institute of Cancer Research, Sutton, Surrey, UK.
authors.forename: S
authors.initials: S
authors.lastname: Neidle
authors.forename: L H
authors.initials: LH
authors.lastname: Pearl
authors.forename: P
authors.initials: P
authors.lastname: Herzyk
authors.forename: H M
authors.initials: HM
authors.lastname: Berman
mesh_terms: D000166:Acridines; D001483:Base Sequence; D004247:DNA / Q000648:ultrastructure*; D007364:Intercalating Agents; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D011370:Proflavine; D013329:Structure-Activity Relationship; D014961:X-Ray Diffraction
chemical_list: D000166:Acridines; D007364:Intercalating Agents; D004247:DNA; D011370:Proflavine