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Docking interactions of compounds (1, 3, 4: A–F) in the active sites of Mpro. (A,C,E) 3D-binding mode of compounds 1, 3, and 4 with Mpro active site, respectively. Ligands are shown as green sticks, Mpro residues are shown as atom type color sticks, hydrogen bonds formed between ligands and receptor are depicted as yellow dotted lines. (B,D,F) 2D-ligand interaction diagram of compounds 1, 3, and 4 with Mpro active site, respectively.
