TDI kinetic parameters for dataset 3 (PPP inhibition of CYP2B6)
Data are presented as parameter estimate ± S.E. kprod is the rate constant for metabolite formation, and kpartial is the rate constant for product formation from the covalently modified enzyme. Enzyme loss is modeled with the rate constant kloss.
| Numerical Method, EII–Partial-Inactivation Model | Replot Method (All Data) | Replot Method (Linear Region) | ||||
|---|---|---|---|---|---|---|
| Repeat 1 | Repeat 2 | Repeat 1 | Repeat 2 | Repeat 1 | Repeat 2 | |
| KI (μM) | 2.1 ± 0.29 | 2.4 ± 0.33 | 19.5 ± 7.2 | 24.2 ± 10.2 | ||
| kinact (min−1) | 0.039 ± 0.001 | 0.030 ± 0.001 | 0.10 ± 0.01 | 0.13 ± 0.02 | ||
| kinact/KI (nM−1 min−1) | 0.019 ± 0.003 | 0.013 ± 0.002 | 0.0051 ± 0.0020 | 0.0054 ± 0.0024 | ||
| KI1 (μM) | 4.25 ± 1.0 | 3.81 ± 0.77 | ||||
| KI2 (μM) | 20.36 ± 11.7 | 22.31 ± 10.05 | ||||
| kinact1 (min−1) | 0.07 ± 0.02 | 0.07 ± 0.02 | ||||
| kinact2 (min−1) | 0.19 ± 0.04 | 0.24 ± 0.04 | ||||
| kinact1/KI1 (nM−1 min−1) | 0.017 ± 0.006 | 0.018 ± 0.006 | ||||
| kinact2/KI2 (nM−1 min−1) | 0.0093 ± 0.0057 | 0.011 ± 0.005 | ||||
| kprod (min−1) | 18.4 ± 0.17 | 20.5 ± 0.18 | ||||
| kpartial (min−1) | 7.24 ± 0.35 | 6.59 ± 0.31 | ||||
| kloss (min−1) | 0.005 ± 0.0009 | 0.0101 ± 0.0009 | ||||