Distinctive features of complexation of anthracycline antibiotic daunomycin with deoxyhexanucleotide d(GCATGC) in aqueous solution: 1D- and 2D-NMR analysis

Autor: Alexei N. Veselkov, Vladimir S. Volynkin, V. I. Pahomov, Kyrill A. Veselkov, L. N. Djimant, Alexander V. Semanin, Adrian A. Hernandez Santiago, O. V. Rogova
Rok vydání: 2004
Předmět:
Zdroj: SPIE Proceedings.
ISSN: 0277-786X
DOI: 10.1117/12.570008
Popis: Complexation of anthracycline antibiotic daunomycin (DAU) with self-complementary deoxyhexanucleotide d(GCATGC) in aqueous solution has been investigated by one-dimensional and two-dimensional homonuclear 'H NMR spectroscopy (TOCSY and NOESY) and heteronuclear 'H-31P NMR spectroscopy (HMBC). Quantitative determination of parameters of oligonucleotide self-association and its complexation with DAU was based on the analysis of the dependences of proton chemical shifts on concentration and temperature. Experimental results were analysed in terms of the equilibrium reaction constants, limiting proton chemical shifts and thermodynamical parameters (enthalpies AN, entropies AS) of the formation of hexamer duplex and different drug-DNA complexes. The most favourable structures of the single-stranded form of d(GCATGC) and the intercalated DAU-hexamer complex have been determined using X-PLOR software taking into consideration both intra- and intermolecular NOE contacts.© (2004) COPYRIGHT SPIE--The International Society for Optical Engineering. Downloading of the abstract is permitted for personal use only.
Databáze: OpenAIRE