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Issue 15, 2012
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An ab initio mechanism for efficient population of triplet states in cytotoxic sulfur substituted DNA bases: the case of 6-thioguanine

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Abstract

The deactivation mechanism of the cytotoxic 6-thioguanine, the 6-sulfur-substituted analogue of the canonical DNA base, is unveiled by ab initio calculations. Oxygen-by-sulfur substitution leads to efficient population of triplet states—the first step for generating singlet oxygen—which is responsible for its cytotoxicity.

Graphical abstract: An ab initio mechanism for efficient population of triplet states in cytotoxic sulfur substituted DNA bases: the case of 6-thioguanine

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Publication details

The article was received on 18 Sep 2011, accepted on 22 Dec 2011 and first published on 16 Jan 2012


Article type: Communication
DOI: 10.1039/C2CC15775F
Citation: Chem. Commun., 2012,48, 2134-2136
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    An ab initio mechanism for efficient population of triplet states in cytotoxic sulfur substituted DNA bases: the case of 6-thioguanine

    L. Martínez-Fernández, L. González and I. Corral, Chem. Commun., 2012, 48, 2134
    DOI: 10.1039/C2CC15775F

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