Theoretical model study of the reactivity of benzo(a)pyrene diol epoxide with the amino groups of the nucleic acid bases
- 1 July 1979
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 16 (1) , 175-188
- https://doi.org/10.1002/qua.560160119
Abstract
A quantum‐mechanical model study, aided by classical potential calculations, of the formation of adducts between the candidate ultimate carcinogen benzo(a)pyrene diol epoxide and the amino groups of guanine, adenine, and cytosine is presented. An explanation for the preferential reactivity of guanine is proposed and conformational aspects of adduct formation are discussed for both nucleosides and B‐DNA.Keywords
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