Predicted (from ANS fluorescence) versus observed (from equilibrium dialysis) fu(mic) values for the validation set
Equilibrium dialysis data are taken from McLure et al. (2000) and Rowland et al. (2006), except for itraconazole (determined in this study). The fu(mic) values were generated from ANS fluorescence normalized to HLM protein concentration of 1 mg/ml using eq. 2 (see Materials and Methods).
| Drug | Predicted fu(mic) and Observed fu(mic) | |||||
|---|---|---|---|---|---|---|
| Predicted | Observed | Predicted | Observed | Predicted | Observed | |
| 100 μM | 200 μM | 500 μM | ||||
| Itraconazole | 0.02 | 0.03 | 0.03 | 0.02 | 0.03 | 0.02 |
| Amitriptyline | 0.40 | 0.44 | 0.47 | a | 0.50 | 0.55 |
| Nortriptyline | 0.43 | 0.46 | 0.48 | 0.40 | 0.55 | 0.61 |
| Phenytoin | 0.87 | 0.83 | 0.96 | 0.89 | 0.96 | a |
| S-Naproxen | 0.96 | 0.99 | 1.0 | 0.99 | 1.0 | 0.97 |
| Lamotrigine | 0.96 | 0.93 | 1.0 | 1.0 | 1.0 | 0.96 |
a Not determined by McLure et al. (2000).