title: [NMR study of complex formation of aromatic ligands with heptadeoxynucleotide 5'-d(GCGAAGC) forming stable hairpin structure in aqueous solution].
abstract: Complex formation of hairpin-producing heptadeoxynucleotide 5'-d(GCGAAGC) with aromatic molecules: acridine dye proflavine and anthracycline antibiotic daunomycin was studied by one-dimensional 1H NMR and two-dimensional correlation 1H-1H (2M-TOCSY, 2M-NOESY), 1H-31P (2M-HMBC) NMR spectroscopy (500 and 600 MHz) in aqueous solution. Concentration and temperature dependences for the chemical shifts of ligand protons were measured, molecular models of equilibrium in solution were developed, and equilibrium thermodynamic parameters for the formation of intercalation complexes were calculated. Spatial structures of dye and antibiotic complexes with the heptamer hairpin were constructed on the basis of 2M-NOE data and the calculated values of limiting chemical shifts of ligand protons.
authors.affiliation: Physics Department, Sevastopol State Technical University, Sevastopol, 99053 Ukraine. veselkov@sevgtu.sevastopol.ua
authors.forename: A N
authors.initials: AN
authors.lastname: Veselkov
authors.forename: R J
authors.initials: RJ
authors.lastname: Eaton
authors.forename: A V
authors.initials: AV
authors.lastname: Semanin
authors.forename: V I
authors.initials: VI
authors.lastname: Pakhomov
authors.forename: L N
authors.initials: LN
authors.lastname: Dymant
authors.forename: L
authors.initials: L
authors.lastname: Karavaev
authors.forename: D V
authors.initials: DV
authors.lastname: Davies
mesh_terms: D003630:Daunorubicin / Q000737:chemistry* / Q000378:metabolism; D008024:Ligands; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D009690:Nucleic Acid Conformation; D009841:Oligonucleotides / Q000737:chemistry* / Q000378:metabolism; D011370:Proflavine / Q000737:chemistry* / Q000378:metabolism; D012996:Solutions; D013816:Thermodynamics; D014867:Water
chemical_list: D008024:Ligands; D009841:Oligonucleotides; D012996:Solutions; D014867:Water; D011370:Proflavine; D003630:Daunorubicin