Journal: Data in Brief

Article Title: Data on ADME parameters of bisphenol A and its metabolites for use in physiologically based pharmacokinetic modelling

doi: 10.1016/j.dib.2023.109101

Figure Lengend Snippet: Physicochemical properties, blood binding and ADME parameters of BPA.

Article Snippet: This set of parameters was used to implement the PBPK model in Simcyp® Simulator V21.

Techniques: Binding Assay, Recombinant

Journal: Data in Brief

Article Title: Data on ADME parameters of bisphenol A and its metabolites for use in physiologically based pharmacokinetic modelling

doi: 10.1016/j.dib.2023.109101

Figure Lengend Snippet: Performance verification of the PBPK model with the ADAM model for the oral route. Circle symbols with error bars represent the mean ± standard deviation of the observed data from the toxicokinetic study of Teeguarden et al. [4], in which subjects ingested deuterated BPA in a soup at a dose of 0.03 mg/kg BW. For further details, see Fig. 1.

Article Snippet: This set of parameters was used to implement the PBPK model in Simcyp® Simulator V21.

Techniques: Standard Deviation

Journal: Data in Brief

Article Title: Data on ADME parameters of bisphenol A and its metabolites for use in physiologically based pharmacokinetic modelling

doi: 10.1016/j.dib.2023.109101

Figure Lengend Snippet: Simulation of oral toxicokinetics of BPA by using the PBPK model with the advanced dissolution, absorption and metabolism (ADAM) model for the oral route. The thick solid lines show the population means of the predicted plasma concentration time profiles (left column) and the cumulative urinary excretion profiles (right column) of unconjugated, sulfated (BPAS), glucuronidated (BPAG), and total BPA. The gray-shaded areas indicate the predicted 5th to 95th percentile ranges. The observed data are shown as circles with error bars (mean ± standard deviation) and were taken from the toxicokinetic study of Thayer et al. [3], in which subjects ingested deuterated BPA in a cookie at a dose of 0.1 mg/kg BW. The limits of detection are indicated by dashed lines.

Article Snippet: This set of parameters was used to implement the PBPK model in Simcyp® Simulator V21.

Techniques: Dissolution, Clinical Proteomics, Concentration Assay, Standard Deviation

Journal: Data in Brief

Article Title: Data on ADME parameters of bisphenol A and its metabolites for use in physiologically based pharmacokinetic modelling

doi: 10.1016/j.dib.2023.109101

Figure Lengend Snippet: Local sensitivity analysis for the PBPK model with the first-order model for the oral route. The figure visualizes how a small variation of an ADME-related or blood-binding input parameter (from Tables 1 and ​and2)2) around its initial value translates into changes in the outcome summary parameters AUC and Cmax for the plasma concentrations of BPA, BPAG, and BPAS. This influence is quantified by the elasticity index.

Article Snippet: This set of parameters was used to implement the PBPK model in Simcyp® Simulator V21.

Techniques: Binding Assay, Clinical Proteomics

Journal: Data in Brief

Article Title: Data on ADME parameters of bisphenol A and its metabolites for use in physiologically based pharmacokinetic modelling

doi: 10.1016/j.dib.2023.109101

Figure Lengend Snippet: Physicochemical properties, blood and ADME parameters of BPAG and BPAS.

Article Snippet: This set of parameters was used to implement the PBPK model in Simcyp® Simulator V21.

Techniques: Binding Assay

Journal: Data in Brief

Article Title: Data on ADME parameters of bisphenol A and its metabolites for use in physiologically based pharmacokinetic modelling

doi: 10.1016/j.dib.2023.109101

Figure Lengend Snippet:

Article Snippet: This set of parameters was used to implement the PBPK model in Simcyp® Simulator V21.

Techniques: Mutagenesis, Drug discovery