Figure 4: The binding modes from Autodock and Glide. | Scientific Reports

Figure 4: The binding modes from Autodock and Glide.

From: Repositioning organohalogen drugs: a case study for identification of potent B-Raf V600E inhibitors via docking and bioassay

Figure 4

(a) rafoxanide docked in 1UWJ with Autodock. (b)rafoxanide docked in 1UWJ with Glide. (c) closantel docked in 1UWJ with Autodock. (d) closantel docked in 1UWJ with Glide. (e) rafoxanide docked in 3C4C with Autodock. (f) rafoxanide docked in 3C4C with Glide. (g) closantel docked in 3C4C with Autodock. (h) closantel docked in 3C4C with Glide. The yellow compound stands for rafoxanide and the cyan compound stands for closantel. Halogen bonds were labeled with distance and angles. The surrounding protein residues interact with the compounds are presented in gray stick model.

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