Docked complex | ACE value | Binding energy (kcal/mol) | Amino acid residues of proteins/hydrogen bond length (Å) |
---|---|---|---|
Spike protein and beta-sesquiphellandrene (Sp-bS) | − 265 | − 10.3 | Leu504 (2.5 Å) Leu374 (2.7 Å) Lys343 (3.2 Å) |
Membrane glycoprotein polyprotein and beta-sesquiphellandrene (MPp-bS) | − 250 | − 9.5 | Asp168 (2.8 Å) Ser169 (2.3 Å) Lys170 (2.5 Å) |