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Aryloxy radical formation as a deactivating process in chemical carcinogenesis: Phenolic derivatives of 7,12‐dimethylbenz[a]anthracene and 5‐methylchrysene
Author(s) -
Seybold Paul G.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560180726
Subject(s) - dmba , chemistry , anthracene , chrysene , carcinogen , phenols , organic chemistry , carcinogenesis , computational chemistry , biochemistry , gene
Molecular orbital techniques have been used to estimate the relative tendencies of the phenolic derivatives of the strong carcinogens 7,12‐dimethylbenz[a]anthracene (DMBA) and 5‐methyl‐chrysene (5MC) to form oxyradicals. The results account for the absence of strong carcinogenic activity in the phenols of DMBA, and predictions are made regarding the relative carcinogenic activities of the 5MC phenols. A possible connection to the action of phenolic antioxidants in inhibiting chemical carcinogenesis is noted.