Figure 7.

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