Fig. 1: Hybridization approach. | Nature Communications

Fig. 1: Hybridization approach.

From: Identification of potent and selective N-myristoyltransferase inhibitors of Plasmodium vivax liver stage hypnozoites and schizonts

Fig. 1

a Chemical structures of IMP-100221 and DDD8564620. b IMP-1002 and DDD85646 bound to PvNMT superimposed (PDB codes 6MB1 and 2YND, respectively). c Design of target molecules: cores A and B (red), tail group (blue), and head group (brown). d Example of a designed hybrid compound (12e) docked into the crystal structure of PvNMT (PDB code 6MB1). Surface representations in front of the binding site are removed for clarity. Interactions involving the atoms of IMP-1002, DDD85646, and compound 12e are drawn using dashed lines, and red spheres represent water molecules.

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