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. 2022 Aug 8;13(36):10686–10698. doi: 10.1039/d2sc02371g

Fig. 5. (A) (B) (C) Poseview of compounds 7, 9 and 10. (D) Superimposed docked pose of the final hits into DrDXPS with pharmacophore view. Color code: C skeleton: 7: magenta; 9: light blue; 10: green; His304 (DrDXPS): gray; His296 (MtDXPS): brown. Surface: hydrophobic site: green; hydrophilic site: red. (E), (F) and (G) Mode-of-inhibition and site-directed mutagenesis studies of the final hits against DrDXPS. Fig. 5D was generated with MOE;45 Fig. 5A–C were generated with Poseview.46.

Fig. 5