Biopolym. Cell. 2003; 19(6):504-512.
Structure and Function of Biopolymers
2D 1H-NMR analysis of complexation of phenoxazone compound actinocyl-bis-(2-dimethylaminoethyl) amide with deoxytetranucleotide 5'-d(TpGpCpA) in aqueous solution
1Veselkov A. N., 2Eaton R. J., 1Lantushenko A. O., 1Rogova O. V., 3Hernandez Santiago A., 2Davies D. B.
  1. Sevastopol National Technical University
    33, Universytetska Str., Sevastopol, Ukraine, 99053
  2. Birkbeck, University of London
    Malet Str., Bloomsbury, London WC1E 7HX, UK
  3. Autonomous University of Puebla
    Puebla, Mexico, 72570


Complexation of a synthetic phenoxazone compound actinocyl-bis-(2-dimethylaminoethyl) amide (ActII) with self-complementary deoxytetranucleotide 5'-d(TpGpCpA) in aqueous solution has been studied by two-dimensional 1H-NMR spectroscopy (500 MHz). Two-dimensional homonuclear correlation NMR spectroscopy (2D-TOCSY and 2D-NOESY) has been used for complete assignment of proton signals of phenoxazone compound and nucleotides in the mixed solution and for determining the structure of the intercalated complex of ActII with the tetramer duplex. Analysis of inter-molecular NOE-contacts enables to conclude that ActII preferentially intercalates into the terminal d(TG)-site of the tetranucleotide and to propose the most favourable spatial structures of ActII-d(TpGpCpA) complexes. It follows that aminoalkyl side chains of ActII are situated in the minor groove of the tetramer duplex.


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