Fig. 3.

Docking studies between APE-1 and active compounds with Arg177Ala mutation. a Compound 6-hydroxy-DL-DOPA, IC₅₀ 0.11 μM [22]. b AJAY-4, IC₅₀ 0.12 µM. Both the previously reported inhibitor and our inhibitor induced large conformational changes when interacting with Arg177Ala mutated. We suggest that Arg177 plays an important role for the recognition of the inhibitors. The conformations of compounds highlighted in pale-green were after Arg177Ala mutation, while the conformations highlighted in orange were before mutation