Table 2 Chemical specific parameters for the human nicotine PBPK model4,5,23.
Parameter | Label | Value | Source |
|---|---|---|---|
Partition coefficients | |||
Nicotine | |||
Blood:Air | PB | 10,000.00 | Set to restrict exhalation |
Lung | PLU | 0.90 | Satoskar et al.23 |
Fat | PF | 0.80 | Satoskar et al.23 |
Brain | PBR | 3.00 | Satoskar et al.23 |
Liver | PL | 7.50 | Satoskar et al.23 |
Heart | PH | 1.60 | Satoskar et al.23 |
Skin | PSK | 1.50 | Satoskar et al.23 |
Muscle | PM | 1.50 | Satoskar et al.23 |
Rapidly perfused | PR | 7.50 | Set to Liver |
Slowly perfused | PS | 1.50 | Set to Muscle |
Cotinine | |||
Liver | PML | 2.00 | Robinson et al.4 |
Muscle | PMM | 1.50 | Robinson et al.4 |
Rapidly perfused | PMR | 1.50 | Robinson et al.4 |
Slowly perfused | PMS | 1.00 | Robinson et al.4 |
Fat | PMF | 0.50 | Robinson et al.4 |
Metabolism (L/h/kg BW0.75) | |||
Nicotine in liver | CLMC | 2.70 | Robinson et al.4 |
Fraction to cotinine | FNC | 0.80 | Robinson et al.4 |
Cotinine in liver | CLLMC | 0.14 | Robinson et al.4 |
Urinary clearance (L/h/kg BW0.75) | |||
Nicotine | CLKC | 0.42 | Robinson et al.4 |
Cotinine | CLKMC | 0.025 | Robinson et al.4 |
Oral bioavailability | FA | 0.67 | Teeguarden et al.5 |
Oral absorption rate (h−1) | KA | 1.34 | Teeguarden et al.5 |
Pharmacodynamic parameters | |||
Concentration effect relationship | S | 933.66 | Teeguarden et al.5 |
First-order rate of loss of tolerance | KANT | 1.6617 | Teeguarden et al.5 |
Tolerance ‘‘concentration’’ | CANT50 | 0.0152 | Teeguarden et al.5 |
