Article Figures & Data
Figures
Tables
Data Supplement
- Supplemental Data -
Supplementary Methods
Supplementary Table 1 - Clinical DDI studies used in the prediction.
Supplementary Table 2 - Inhibition constants (Ki ), inactivation rate constant (kinact), and the concentration at half kinact (KI) for CYP3A in human liver microsomes from the literature.
Supplementary Table 3 - ka, Rb, Fa, AUC, and Cmax used for the mechanistic static analysis.
Supplementary Table 4 - Fraction unbound, adjusted fraction unbound in plasma, and fraction unbound during incubation.
Supplementary Table 5 - Solubility, pKa, and bile salt solubilization ratio (BSSR) of perpetrators used for the simulation.
Supplementary Table 6 - Permeability and lipophilicity of perpetrators used for the simulation.
Supplementary Table 7 - Summary of pharmacokinetic parameters of perpetrators used for the simulation.
Supplementary Figure 1 - Reversible inhibition for CYP3A in human liver microsomes.
Supplementary Figure 2 - Time-dependent inhibition for CYP3A in human liver microsomes.
Supplementary Figure 3 - Induction for CYP3A4 in human hepatocytes.
Supplementary Figure 4 - Plasma concentration simulated by GastroPlus in model development.
Supplementary Figure 5 - Concentrations in the intestine simulated by GastroPlus (Cent,jejunum 1) and calculated for static model ([I]g).
Supplementary Figure 6 - Comparison of predicted AUCR of midazolam using CastroPlus and static model in the liver for CYP3A inhibition (A) and induction (B).
Supplementary Figure 7 - Concentrations in the liver simulated by GastroPlus (Cliver,u) and calculated for static model (Cinlet,u, Cmax,u, and Css,u).
Supplementary References
- Supplemental Data -