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Nucleic Acids Symposium Series 2002 2(1):61-62; doi:10.1093/nass/2.1.61
© 2002 by Oxford University Press
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Solution structure of the DNA complexes with an alkyl-linked bis(benzimidazole) compound, 1,4-bis[5-(4-methyl-1-piperazinyl)-2-benzimidazolyl]butane

Jie Liu, Seiji Tani and Yukio Kubota

Department of Chemistry, Faculty of Science, Yamaguchi University Yamaguchi, 753-8512, Japan

Solution structures of the 1:1 complexes of an alkyl-linked bis(benzimidazole) compound (4; Figure 1(a)) with the self-complementary DNA duplexes, d(CGCGAATTCGCG)2 and d(CGCAAATTTGCG)2, have been studied by 1H NMR spectroscopy and molecular mechanics calculations. The intermolecular NOE data and the energy-minimized geometries of the 1:1 complexes indicate that 4 binds in the minor groove of the 5'-GAATTCG and 5'-CAAATTT regions of the DNA duplexes.


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