Footprinting of Inhibitor Interactions of In Silico Identified Inhibitors of Trypanothione Reductase of Leishmania Parasite
Figure 4
Ligplot showing proposed hydrogen bonding and non bonding interaction of Compound 38 (a) and Compound 20 (b) from Cluster 1, Cluster 2, respectively. They bind to the active site with specific interaction pattern representation of each cluster. Compound 38 stacks itself between two hydrophobic patches in the active site, whereas compound 20 is in nonbonding interaction with Z site residues and Glu of active site.
