Table 4 Results of HDOCK indicating docking score and ligand RMSD in the best mode of docking
Ligands | Enterotoxin A | Enterotoxin B | ||
|---|---|---|---|---|
Docking score | Ligand RMSD (Ã…) | Docking score | Ligand RMSD (Ã…) | |
(Z)-α-Bisabolene epoxide |  − 88.30 | 51.24 |  − 101.46 | 51.31 |
(E)-Nerolidol |  − 91.86 | 27.62 |  − 92.54 | 50.99 |
α-Cyperone |  − 88.98 | 26.36 |  − 99.64 | 51.03 |
Daphnauranol C |  − 107.46 | 23.77 |  − 101.88 | 49.72 |
Nootkatin |  − 99.03 | 26.45 |  − 111.67 | 51.17 |
Nootkatone |  − 89.49 | 25.57 |  − 98.01 | 51.16 |