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. 2021 May 1;43:128079. doi: 10.1016/j.bmcl.2021.128079

Table 1.

Molecular docking analysis of different compounds against nsp13 using Auto Dock Vina.

Protein Binding Energy Kcal/mol Inhibition Constant μmol Protein Binding Energy Kcal/mol Inhibition Constant μmol
Ligands Chain A Chain A Chain B Chain B
L1 −6.5 16.524 −6.1 32.538
L2 −6.7 11.775 −6.4 19.574
L3 nsp13 −7.2 5.048 nsp13 −6.3 23.188
L4 −6.7 11.775 −6.4 19.574
L5 −6.7 11.775 −6.3 23.188
L6 −6.4 19.574 −6.2 27.468