Figure 2 | Scientific Reports

Figure 2

From: Non-covalent SARS-CoV-2 Mpro inhibitors developed from in silico screen hits

Figure 2The alternative text for this image may have been generated using AI.

Crystal structure of Mpro in complex with the dihydro-quinolinone compound Z222979552. (A) Surface representation of SARS-CoV-2 Mpro with secondary structure elements colored green and compound Z222979552 shown as a stick model. The omit electron density map corresponding to the ligand compound is shown (σ = 1.0). (B) Stick model of compound Z222979552 and of select residues at the active site of Mpro showing the key interactions between the protease and its inhibitor.

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