Figure 2  Lowest-energy docked poses of (E,E)-farnesol and (E)-nerolidol with the SARS-CoV-2 main protease (PDB: 6Y84). (A) Ribbon structure of the enzyme and (E,E)-farnesol (magenta) and (E)-nerolidol (orange). (B) Solid structure of the enzyme showing (E,E)-farnesol (magenta) and (E)-nerolidol (orange) in the binding cleft. (C) Important interactions of amino acid residues with (E,E)-farnesol. (D) Important interactions of amino acid residues with (E)-nerolidol. Hydrogen bonds are indicated with blue dashed lines.