Structural and thermodynamic analysis of the hetero-association of theophylline with aromatic drug molecules

Andrejuk, D.D. and Hernandez Santiago, A.A. and Khomich, V.V. and Voronov, V.K. and Davies, David B. and Evstigneev, M.P. (2008) Structural and thermodynamic analysis of the hetero-association of theophylline with aromatic drug molecules. Journal of Molecular Structure 889 (1-3), pp. 229-236. ISSN 0022-2860.

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Official URL: http://dx.doi.org/10.1016/j.molstruc.2008.01.051

Abstract

The hetero-association of theophylline (THP) with other biologically-active aromatic molecules (e.g. the anti-cancer drugs daunomycin and novantrone, the antibiotic norfloxacin, the vitamin flavin-mononucleotide and two mutagens ethidium bromide and proflavine) has been studied by NMR in aqueous-salt solution (0.1 M Na-phosphate buffer, pD 7.1). It was found that THP shows an essentially similar hetero-association ability as caffeine (CAF) towards aromatic drugs, except for novantrone (NOV), which has much less affinity to THP than CAF as a result of energetically unfavourable orthogonal orientation of the chromophores of THP and NOV in the hetero-complex.

Metadata

Item Type:	Article
Keyword(s) / Subject(s):	Hetero-association, Theophylline, aromatic drugs, NMR, interceptor
School:	School of Science > Biological Sciences
Depositing User:	Administrator
Date Deposited:	29 Jul 2011 08:48
Last Modified:	17 Apr 2013 12:21
URI:	https://eprints.bbk.ac.uk/id/eprint/3916

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