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. 2023 Mar 6;120(11):e2214168120. doi: 10.1073/pnas.2214168120

Fig. 5.

Fig. 5.

Lead compounds are starting points for antiviral development. (A) Top hits reported in Fig. 4 are purified and assayed in an enzymatic assay for their activity against the SARS-CoV-2 main protease. The 90% CI for enzymatic assays of compound 1 [0.26, 0.42] μM, compound 2 [0.98, 1.2] μM, and compound 3 [1.4, 1.6] μM; for viral assay: [0.019, 0.83] μM. (B) Compound 1, with nM potency, is further profiled in the SARS-CoV-2 CPE assay in Vero E6 cells and found to show no cytotoxic effect at 10 μM. (C) Crystallographic structure of compound 1 bound to Mpro (structure P1477_0A) (35) and (D) 2D map of salient protein–ligand interactions obtained using OpenEye.