Add time:07/19/2019         Source:sciencedirect.com

We report the results of a computational study of the possible metabolites of 4-aminoazobenzene (AAB) and its monomethoxy derivatives using density functional theory (DFT) and the semiempirical AM1 method. These calculations identify several factors that may influence the radically different carcinogenic activities of 2-methoxy-and 3-methoxy-AAB.

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