In silico approximation to aflatoxin B1 metabolism and sensitivity in commercial poultry species based on empirical mathematical equations

Abstract

Enzyme kinetic parameters for aflatoxin B1 metabolism have been reported for chicken, quail, turkey and duck, but an integrated in silico model has not been proposed. Both enzyme-catalyzed reactions and spontaneous reactions were modeled in the CellDesigner software and results were adjusted to Hill, Rational and Hoerl models. Results revealed that the higher amount of aflatoxin B1 epoxide produced in a short lapse of time and a low production of epoxide conjugated to glutathione explains the severe genotoxic effect of aflatoxin B1 in duck. Also, the higher amount of aflatoxicol produced is time-associated to aflatoxin B1 resistance in chicken. Finally, the cytotoxic effects in quail and duck are caused by a large aflatoxin B1 dialdehyde production in a short period of time.

Keywords

• Xenobiotic metabolism simulation
• in silico simulation
• Aflatoxin B1 metabolism
• Cytotoxic pathway
• Genotoxic pathway