Predicting in vivo Target Occupancy (TO) Profiles via PBPK-TO Modeling of Warfarin Pharmacokinetics in Blood: Importance of Low Dose Data and Prediction of Stereoselective Target Interactions

Data Supplement

• Supplemental Table 1 -

  Supplemental Table S1. Summary of the accepted parameters (rank 1, maximum, minimum, and median values) for the CGNM repeat runs #1 and #2 analyzing all four warfarin dose levels and additional secondary parameters calculated for metabolic clearance (CL_met,inf), permeability clearance (PS_act,inf), and overall intrinsic clearance (CL_int,all).

• Supplemental Figure 1 -

  Supplemental Figure S1. Simulated PK and TO profiles or R- and S-warfarin in subjects receiving repeated warfarin dosing (10 mg for 2 days and 3 mg afterwards) using the rank 1 parameter set of the CGNM run <RS#2>.