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. 2023 Jan 25;9(2):217–227. doi: 10.1021/acscentsci.2c01359

Figure 1.

Figure 1

Identification of noncovalent inhibitors of SARS-CoV-2 3CLpro. (a) Five compounds containing an isoquinoline ring and a bromophenyl ring were identified as 3CLpro binders. (b) The ability of the 3CLpro binders to inhibit the enzyme activity of SARS-CoV-2 3CLpro was evaluated using the fluorescent substrate Dabcyl-KTSAVLQSGFRKME-Edans. WU-02 and WU-04 showed the highest inhibitory activity. The data represents the mean ± SD of three independent measurements. (c) The binding affinity (Kd) between WU-04 and SARS-CoV-2 3CLpro was measured using isothermal titration calorimetry (ITC).