Identification of Peptide Antagonists to Thioredoxin Glutathione Reductase of Schistosoma japonicum

Figure 5

(a) Selected conformations of JIPDys1 during molecular dynamics. (b) Overlap of the peptide JIPDys1 docking with TGR. The regions of SjTGR that interacted with JIPDys1 included the Grx domain, the NADPH binding unit, and the GSSG binding site. The region of high docking frequency centralized mainly at GSSG binding site. (c) Frequency distribution of JIPDys1 docking to the GR active site of SjTGR. (d) Overlap of docked JIPDys1 at the GSH binding site of the Grx domain. (e) Docking frequency of residues at the Grx active site.