Table 4.

List of interacting residues of each transmembrane helix of Cel-Pgp-1 with the selected lowest energy clusters of triclabendazole (TCZ), thiabendazole (TBZ), levamisole-R (LEV-R), closantel-R (CLO-R), monepantel-S (MNP-S) and emodepside (EMD). The interacting residues with the reference ML, ivermectin (Table 1), are also presented for comparison. Bold: hotspot residues. Underscored: residues establishing a H-bond. Green: common interacting residues to TCZ1. Blue: common interacting residues to TCZ2. Orange: common interacting residues to TBZ1. Dark green: common interacting residues to TBZ2. Purple: common interacting residues to LEV2. Brown: common interacting residues to CLO1. Pink: common interacting residues to MNP1. Black: interacting residues never shared with any other AH cluster.