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