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

Divi Venkateswarlu | Zendy; Richard H. Duncan | Zendy; Manju Bansal | Zendy

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

Author(s) -

Divi Venkateswarlu,

Richard H. Duncan,

Manju Bansal

Publication year - 1997

Publication title -

journal of the chemical society. perkin transactions ii

Language(s) - English

Resource type - Journals

eISSN - 2050-8239

pISSN - 0300-9580

DOI - 10.1039/a603927h

Subject(s) - chemistry , pairing , base (topology) , computational chemistry , physics , mathematics , quantum mechanics , mathematical analysis , superconductivity

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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