A semi-empirical SCF-MO study on the base-pairing properties of 8-oxopurines: significance for mutagenicity

Venkateswarlu, Divi ; Duncan, R. H. ; Bansal, Manju (1997) A semi-empirical SCF-MO study on the base-pairing properties of 8-oxopurines: significance for mutagenicity Journal of the Chemical Society, Perkin Transactions 2 (3). pp. 621-626. ISSN 0300-9580

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Official URL: http://pubs.rsc.org/en/Content/ArticleLanding/1997...

Related URL: http://dx.doi.org/10.1039/A603927H

Abstract

C8-Oxidised purines like 7-hydro-8-oxoguanine (8OG) and 7-hydro-8-oxoadenine (8OA) are known as products of oxidative DNA damage. Semiempirical molecular orbital calculations at the PM3 SCF-MO level are used to investigate the base-pairing properties of these bases in an attempt to understand their mutagenic properties. A detailed analysis of the base-pairing properties of these bases leads to an identification of the most probable pairing schemes involved in mutagenic base-mispairing. It is suggested that both bases are capable of inducing transversional as well as transitional mutations via base-mispairing. The results presented are largely in consonance with available experimental reports.

Item Type:Article
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ID Code:48020
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