TABLE 1. Model discrimination analysis for 4MP and IND inhibition of CYP2E1 pNP activity.
Tested models are shown in Scheme 2. In all cases, the substrate is a homotypic allosteric effector; however, other possible effector roles between substrate (S) and inhibitor (I) are indicated. P indicates the number of adjustable parameters for the model; RSS indicates the relative sum of the squares; ΔAICc shows the increase in the second-order Akaike information criterion relative to the best model (ΔAICc 0); w indicates the Akaike weight such that 0.10 = 10% probability.
| Model | Allosteric effector | P | 4MP
|
IND
|
||||
|---|---|---|---|---|---|---|---|---|
| RSS | ΔAICc | w | RSS | ΔAICc | w | |||
| Single-site inhibition 1 | None | 4 | 0.07145 | 43.3 | 0.0000 | 0.01465 | 0 | 0.9525 |
| Two-site inhibition | ||||||||
| 2a | S, I | 6 | 0.02859 | 0 | 0.9998 | 0.01465 | 6.00 | 0.0473 |
| 2b | S | 5 | 0.04449 | 20.8 | 0.0003 | 0.02471 | 21.7 | 0.0000 |
| 2c | I | 5 | 0.04414 | 20.4 | 0.0004 | 0.04207 | 40.9 | 0.0000 |
| 2d | None | 4 | 0.04404 | 17.7 | 0.0014 | 0.02342 | 16.9 | 0.0002 |