ZFIN Image: Van Dycke et al., 2021, Fig. 7

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Figure Caption

Fig. 7

Molecular docking of compound 10d in the GI.1 and GII.4 norovirus 3CL protease. (A) The binding mode of 10d at the substrate-binding site of the GI.1 norovirus 3CL^pro (PDB code: 3UR9). The GI.1 norovirus 3CL^pro was shown as molecular surface and 10d was shown by green sticks. (B) Interactions of 10d with the surrounding residues. Residues are shown as light green lines, and H-bonds are represented by yellow dashed lines. (C) The binding mode of 10d at the substrate-binding site of the GII.4 norovirus 3CL^pro (PDB code: 6NIR). (D) Interactions of 10d with the surrounding residues. The Schrödinger program (Maestro covalent docking) was used for calculations and PyMOL program for visualizations.

Acknowledgments

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