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. 2024 Nov 15;10(23):e40404. doi: 10.1016/j.heliyon.2024.e40404

Table 6.

Predicted SARS-CoV-2 3CLpro inhibitory activity of the final screened molecules.

Drug candidate DrugBank-Database ID Predicted SARS-CoV-2 3CLpro inhibitory activity (nM)
SW-MLR (Equation (1)) GA-MLR (Equation (2))
N,N-[2,5-O-[Dibenzyl]-glucaryl]-DI-[isoleucyl-amido-methane] DB03908 119.199 7439.78
Elobixibat DB12486 982.601 979.513