FIG 5.

Inhibition mechanism and binding mode of potent inhibitors. Initial rates were measured as a function of the concentration of H₂O₂ at a fixed concentration of inhibitors. The entire top three hits act in a noncompetitive manner, as shown in the Lineweaver-Burk plot. Panels A to C show the predicted binding modes of (A) ASN13153257 (I₁), (B) ASN16457210 (I₂), and (C) AOP22837786 (I₃) bound to LdAPx. Binding poses were visualized by Discovery Studio v2.5. The bound inhibitors are shown as blue sticks, and residues close to the inhibitors are represented as orange polyhedrons. The hydrogen bonds are shown by red dashed lines, and π-π interactions are shown as bold orange lines.