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Experimental DNA-binding and computer modelling studies on an analogue of the anti-tumor drug amsacrine.

Abraham, ZH; Agbandje, M; Neidle, S; Acheson, RM; (1988) Experimental DNA-binding and computer modelling studies on an analogue of the anti-tumor drug amsacrine. J Biomol Struct Dyn , 6 (3) pp. 471-488. 10.1080/07391102.1988.10506501.

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Abstract

The DNA-binding properties of the anti-cancer drug amsacrine and a 9-aminoacridine analogue substituted at the 4 position with a 4-methanesulphonanilido-group, have been examined by means of unwinding, melting and equilibrium binding experiments. These find that the latter compound is at least as effective as a DNA-binder and intercalator as amsacrine itself. Molecular modelling and energetic calculations have confirmed this, and have produced plausible intercalation geometries. These show that there are subtle differences in the low-energy minor groove arrangements adopted by the substituents of the two drugs. Speculation is advanced that these differences may be relevant to the marked differences in cytotoxicity shown by the two compounds.

Type: Article
Title: Experimental DNA-binding and computer modelling studies on an analogue of the anti-tumor drug amsacrine.
Location: England
DOI: 10.1080/07391102.1988.10506501
Keywords: Amsacrine, Animals, Cattle, Computer Simulation, DNA, Intercalating Agents, Models, Molecular, Nucleic Acid Conformation, Nucleic Acid Denaturation
UCL classification: UCL > School of Life and Medical Sciences
UCL > School of Life and Medical Sciences > Faculty of Life Sciences
UCL > School of Life and Medical Sciences > Faculty of Life Sciences > UCL School of Pharmacy
URI: http://discovery.ucl.ac.uk/id/eprint/1378899
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