Figure 5 | Scientific Reports

Figure 5

From: Novel and selective inactivators of Triosephosphate isomerase with anti-trematode activity

Figure 5

(A) Display of the best solutions for each compound after docking with compounds 110, 187 and TCZ on the monomeric form of FhTIM. The position of the second monomer in the dimer is displayed as a ghost to show the location of the docked compounds compared to the dimeric interface. Best solution after docking of compounds 110 (B,C), 187 (D,E) and TCZ (F,G) on the FhTIM monomer. (B,D,F): Overall view of the position of the compounds. (C,E,G): close-up views of the position of the compounds with a display of the neighboring residues for which at least one atom lies within 4 Å of the ligand. These views are rotated 90° around the y-axis compared to panels B, D and F for the sake of clarity. The ligand coloring scheme is similar to Fig. 4C.

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