Lucanthone and Its Derivative Hycanthone Inhibit Apurinic Endonuclease-1 (APE1) by Direct Protein Binding
Figure 11
Lucanthone and hycanthone docks at hydrophobic site in APE1.
A) The lowest energy pose of docked APE1/lucanthone (gray) superposes with the structure of the complex post 30 ns of MD simulation with an r.m.s.d. of 1.8. Å. B) docked APE1/hycanhone (gray) superposes with the structure of this complex post 30 ns of molecular dynamics simulation with an r.m.s.d. of 1.7. Å.