Table 2.
Docking scores of PFASs and probe substrates of URAT1 and OAT4
| Compound | OAT4 | URAT1 | ||
|---|---|---|---|---|
| Score (kcal mol−1; mean ± standard deviation)a | Substrate | Score (kcal mol−1; mean ± standard deviation)a | Substrate | |
| PFHpA | − 6.1 ± 0.0 | Yes | − 5.5 ± 0.0 | No |
| PFOA | − 6.2 ± 0.0 | Yes | − 6.0 ± 0.0 | No |
| PFNA | − 6.7 ± 0.2 | Yes | − 6.6 ± 0.0 | No |
| PFDA | − 7.1 ± 0.0 | Yes | − 6.7 ± 0.0 | No |
| PFHxS | − 6.4 ± 0.0 | Yes | − 5.9 ± 0.1 | No |
| PFOS | − 7.2 ± 0.2 | Yes | − 6.9 ± 0.1 | No |
| PFBS | − 5.5 ± 0.0 | No | − 4.9 ± 0.0 | No |
| Uric acid | – | – | − 6.6 ± 0.0 | Yes |
| Prostaglandin E2 | − 6.0 ± 0.0 | Yes | – | – |
aThe scores are reported as means of three independent runs ± standard deviation