A physiologically based toxicokinetic and toxicodynamic model links the tissue distribution of benzo[a]pyrene and toxic effects in the scallop Chlamys farreri

•A PBTK-TD model was developed for benzo[a]pyrene in scallop Chlamys farreri.•Four different biomarkers in digestive gland were used to reflect toxic effects.•The predicted and measured data in most organs were in good agreement.•Comet assay was considered as the best biomarkers.•The model will serve as a useful tool for pollution monitoring and food security.

A physiologically based toxicokinetic and toxicodynamic (PBTK-TD) model was developed for benzo[a]pyrene (B[a]P) in scallop Chlamys farreri. The PBTK model structure consisted of gill, digestive gland, adductor muscle, hemolymph and other tissues. In TD modeling, aryl hydrocarbon hydroxylase (AHH) activity assay, comet assay, protein carbonyl measurement and lipid peroxidation level determination in digestive gland were used as biomarkers to reflect toxic effects. We integrated B[a]P concentration and biomarkers by using sigmoid Emax model in digestive gland. The PBTK-TD model predicted the B[a]P concentrations within each organ compartment and the toxic effects in digestive gland. The results showed that the predicted and measured data in different organs were in good agreement and comet assay was considered as the best biomarker. This model would serve as a useful tool for pollution monitoring and food security.