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

Valery I. Pahomov; Olga V. Rogova; Vladimir S. Volynkin; Kirill A. Veselkov; Adrian A. Hernandez Santiago; Alexander V. Semanin; Leonid N. Djimant; Alexei N. Veselkov

doi:10.1117/12.570008

20 July 2004 Distinctive features of complexation of anthracycline antibiotic daunomycin with deoxyhexanucleotide d(GCATGC) in aqueous solution: 1D- and 2D-NMR analysis

Valery I. Pahomov, Olga V. Rogova, Vladimir S. Volynkin, Kirill A. Veselkov, Adrian A. Hernandez Santiago, Alexander V. Semanin, Leonid N. Djimant, Alexei N. Veselkov

Author Affiliations +

Proceedings Volume 5507, XVI International Conference on Spectroscopy of Molecules and Crystals; (2004) https://doi.org/10.1117/12.570008
Event: XVI International Conference on Spectroscopy of Molecules and Crystals, 2003, Sevastopol, Ukraine

Abstract

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.

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Valery I. Pahomov, Olga V. Rogova, Vladimir S. Volynkin, Kirill A. Veselkov, Adrian A. Hernandez Santiago, Alexander V. Semanin, Leonid N. Djimant, and Alexei N. Veselkov "Distinctive features of complexation of anthracycline antibiotic daunomycin with deoxyhexanucleotide d(GCATGC) in aqueous solution: 1D- and 2D-NMR analysis", Proc. SPIE 5507, XVI International Conference on Spectroscopy of Molecules and Crystals, (20 July 2004); https://doi.org/10.1117/12.570008

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