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. 2022 Aug 18:1–16. Online ahead of print. doi: 10.1007/s11030-022-10513-6

Fig. 7.

Fig. 7

The main protease, 3CLpro, and human metabolites interaction profiles (affinity more than − 9 kcal/mol). 3D interaction profile for selected ligands where key residues are shown ball and stick model A Ligand1, B Ligand6, C Ligand7, and D Ligand8. 2D interaction plots are generated by using Ligplot+, E Ligand1, F Ligand6, G Ligand7, and H Ligand8. Pink spike semicircles show the residues involved in the hydrophobic interactions, and hydrogen bonds are shown as green dotted lines