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. 2023 Feb 9;66(4):2663–2680. doi: 10.1021/acs.jmedchem.2c01627

Table 1. Inhibition of SARS-CoV-2 Mpro by Nirmatrelvir Derivatives Bearing a Terminal Alkyne.

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a

Inhibition assays were performed using SPE-MS as described employing SARS-CoV-2 Mpro (0.05 μM) and ALNDFSNSGSDVLYQPPQTSITSAVLQ/SGFRKMAFPS-NH2 as a substrate (2.0 μM) in the presence of an internal standard (Supporting Figures S1 and S2).43,62 The results are means of three independent repeats, each composed of technical duplicates (n = 3; mean ± standard deviation, SD). Representative dose–response curves are shown in Figure 3a.

b

Representative dose–response curves for cell-based assays are shown in Supporting Figure S3a. The results are means of three independent repeats (n = 3; mean ± SD).