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. 2022 Nov 27;97(3):685–696. doi: 10.1007/s00204-022-03428-6

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