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. 2020 May 12;21(10):3426. doi: 10.3390/ijms21103426

Figure 2.

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.