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Theoretical model study of the reactivity of benzo(a)pyrene diol epoxide with the amino groups of the nucleic acid bases

✍ Scribed by Richard Lavery; Bernard Pullman

Publisher: John Wiley and Sons
Year: 1979
Tongue: English
Weight: 641 KB
Volume: 16
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560160119

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✦ Synopsis

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.

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