West Nile Virus NS3 protease

Figure 17.2 Low micromolar inhibitors discovered by high-throughput fragment-based docking into 3-secretase (compounds 1 and 2), plasmepsin II (3), West Nile virus NS3 protease (4 and S),cathepsin B (6), EphB4tyrosine kinase...

Figure 17.3 Schematic pictu re ofthe two/ns/7/co screening campaigns against West Nile virus NS3 protease. Dockingofthecompoundswas performed by DAIM/SEED/FFLD usingthe2fp7 structure of the WNV protease as explained in the text and Refs [90, 97].

Figure 17.4 The guanidinium groups of inhibitors 4 (a) and 5 (b) are involved in electrostatic interactions with hydrogen bond acceptors in the SI and S2 pockets of the West Nile virus NS3 protease, as observed in the X-ray structure of the aldehyde peptidic inhibitor benzoyl-Nle-Lys-Arg-Arg-H (PDB code 2fp7).

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