Data Supplement
Supplemental Data
- Supplemental Data -
Supplemental Figure 1 - The flow expressions based on (A) a first-order kinetics in an ODE and (B) one-dimensional convection in a PDE.
Supplemental Figure 2- Nonlinear blood concentration–time profile of a virtual drug after intravenous administration when the dosing amount is escalated from 0.3–30 mmol.
Supplemental Figure 3 - Blood concentration–time profile of a virtual drug (victim) coadministered with a virtual inhibitor (perpetrator).
Supplemental Figure 4 - Hybrid automata of hepatic flow.
Supplemental Figure 5 - Hepatic availability based on the various models.
Supplemental Figure 6 - Hybrid automata of renal flow.
Supplemental Figure 7 - Gastric emptying model.
Supplemental Figure 8 - Gastric emptying after drinking water.
Supplemental Figure 9 - Gallbladder emptying model and hepatic flow with variable volume.
Supplemental Figure 10 - Gallbladder emptying after eating a meal.
Supplemental Figure 11 - Hybrid automata of gastrointestinal transit.
Supplemental Figure 12 - Calculation of steady state of body fluid during virtual days.
Supplemental Figure 13 - Blood concentration–time profiles of 5-ASA and Ac-5-ASA after oral administration.
Supplemental Figure 14 - The plotting position of gut regions in heatmap animation of Movie 4 and 5.
Supplemental Table 1 - Parameters for hybrid automata of hepatic flow.
Supplemental Table 2 - Parameters for hybrid automata of renal flow.
Supplemental Table 3 - Parameters for gastric emptying model.
Supplemental Table 4 - Parameters for gallbladder emptying model and altered hepatic flow model.
Supplemental Table 5 - Parameters for hybrid automata of gastrointestinal transit.
Supplemental Table 6 - Gut length and blood allocation to gut regions.
Supplemental Table 7 - Parameters for hybrid automata of cardiovascular system and water balance.
Supplemental Table 8 - Schedule of action on virtual day and in clinical study.
Supplemental Table 9 - Compound-dependent parameters for 5-ASA and Ac-5-ASA.
Supplemental Table 10 - Formulation-dependent parameters.
Supplemental Table 11 - Ratio of regional maximum concentration within one-dimensional tube in Movie 1.
Supplemental Table 12 - Ratio of regional cleared amount within one-dimensional tube in Movie 1.
Supplemental Table 13 - Parameters of systemic 5-ASA and Ac-5-ASA.
Supplemental Movies
Supplemental References
- Supplemental Movie 1 -
Movie 1. Simulation of concentrations of a virtual drug in the one-dimensional tube flow models after instantaneous
injection. - Supplemental Movie 2 -
Movie 2. Transit of fluid and residue through the gut on a virtual day.
- Supplemental Movie 3 -
Movie 3. Transit of 5-ASA through the gut after administration.
- Supplemental Movie 4 -
Movie 4. Heatmap animation of 5-ASA amount in the gut during absorption and transit.
- Supplemental Movie 5 -
Movie 5. Simulation of a virtual drug disposition affected by enterohepatic circulation.
- Supplemental Model File 1
- Supplemental Model File 2
- Supplemental Model File 3
- Supplemental Model File 4
- Supplemental Model File 5
- Supplemental Model File 6
- Supplemental Model File 7