Fig. 1.

Ivermectin and moxidectin binding to Cel-Pgp-1. A and B. Histograms of energy scores, clusterized at RMSD = 2 Å. The first (1) and second (2) lowest energy clusters are framed with red and green dotted lines, respectively. C and D. Binding sites of the lowest energy clusters of IVM (C) and MOX (D). E and F. Binding sites of the 2nd lowest energy clusters of IVM (E) and MOX (F). IVM is represented in red spheres, MOX is represented in green spheres, Cel-Pgp-1 in light blue (N-term) and yellow (C-term) ribbon. Images were generated using PyMol. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article).