ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560160119