Skip to main content
. Author manuscript; available in PMC: 2021 Oct 9.
Published in final edited form as: ACS Infect Dis. 2020 Sep 21;6(10):2616–2628. doi: 10.1021/acsinfecdis.0c00217

Figure 7.

Figure 7.

Docking and mutagenesis. (A) Predicted docking pose of JMX0207 (magenta) docking into NS3pro of DENV2 (PDB code: 2FOM). NS3pro is in a blue ribbon representation, and binding site key interaction residues are highlighted in stick presentation. π cation and π stacking are shown as cyan dotted lines; H bonds are in purple and salt bridges, in blue. (B) Predicted binding pose of niclosamide (green) docked into NS3pro of DENV2. H bonds are shown as purple dotted lines. (C) JMX0207 and niclosamide superimposed at the predicted binding site in surface representation. JMX0207 is shown as magenta sticks and niclosamide, in green. (D) Representative SPR analysis of JMX0207 binding to the MBP-NS3 protease wild-type and mutant L58A.