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. 2018 Jan;21(1):9–18. doi: 10.22038/IJBMS.2017.21892.5616

Table 4.

P-gp inhibition fold, binding energy (E score), and Predicted cell permeability (QPPCaco) of compounds 4b, 6b, 5a, and 5b

graphic file with name IJBMS-21-9-g008.jpg
Compound X R1 R2 P-gp inhibition fold (10 μM) E score (KJ/mol) QPPCaco
4b COOH F H 0.31 -10.73 292.199
6b COOCH3 F H 0.75 -9.88 3929.957
5a CH2OH H H 1.375 -11.08 3929.986
5b CH2OH F H 2.175 -11.55 3929.909