title: NMR structural analysis of a modular threading tetraintercalator bound to DNA.
abstract: The synthesis and NMR structural studies are reported for a modular threading tetraintercalator bound to DNA. The tetraintercalator design is based on 1,4,5,8-tetracarboxylic naphthalene diimide units connected through flexible peptide linkers. Aided by an overall C(2) symmetry, NMR analysis verified a threading polyintercalation mode of binding, with linkers alternating in the order minor groove, major groove, minor groove, analogous to how a snake might climb a ladder. This study represents the first NMR analysis of a threading tetraintercalator and, as such, structurally characterizes a new topology for molecules that bind to relatively long DNA sequences with extensive access to both DNA grooves.
authors.affiliation: Department of Chemistry and Biochemistry, The University of Texas, Austin, Texas 78712, USA.
authors.forename: Jeeyeon
authors.initials: J
authors.lastname: Lee
authors.forename: Vladimir
authors.initials: V
authors.lastname: Guelev
authors.forename: Steven
authors.initials: S
authors.lastname: Sorey
authors.forename: David W
authors.initials: DW
authors.lastname: Hoffman
authors.forename: Brent L
authors.initials: BL
authors.lastname: Iverson
mesh_terms: D001665:Binding Sites; D004247:DNA / Q000737:chemistry* / Q000378:metabolism; D005998:Glycine / Q000737:chemistry; D006860:Hydrogen Bonding; D007364:Intercalating Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000378:metabolism; D008239:Lysine / Q000737:chemistry; D008958:Models, Molecular; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods; D009690:Nucleic Acid Conformation; D010455:Peptides / Q000737:chemistry; D017186:Titrimetry
chemical_list: D007364:Intercalating Agents; D010455:Peptides; C019529:polyalanine; D004247:DNA; D008239:Lysine; D005998:Glycine