Fig. 4

(A) Comparative structures: Left - WM039, Right - LAL036, and their superimposed structures in the center (WM039 in yellow). (B) Comparative structures: Left - WM015, Right - VGD022, and their superimposed structures in the center (WM015 in yellow). (C-D) Binding energies and structural representations of bioavailable and low-toxicity CADA analogs.