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. 2022 Feb 17;10:816576. doi: 10.3389/fchem.2022.816576

FIGURE 4.

FIGURE 4

Initial screening of Mpro inhibition by selected compounds from docking. Tested compounds are selected from (A) the batch selected with affinity from receptor-rigid docking, (B) the batch selected with binding energy vs. molecular weight from receptor-rigid docking, and (C) the batch selected from receptor-flexible docking. 100, 10 and 1 µM were used for each inhibitor to perform the inhibition assay. Fluorescence intensity was monitored with respect to the control that had no inhibitor provided.