Table 5h.
Interaction with amino acid residue with selected 3 ligand with 5V7A.
| Comp No | Name | Docking Score (kcal/mole) | Interactions by H-Bond |
Hydrophobic Bonds |
Electrostatic |
fluorine | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Conventional | Carbon–Hydrogen | Pi–Alkyl/Alkyl | Pi–Pi/Pi–Sigma/Amide–Pi | Pi–Sulfur | Pi-Anion | Pi-cation | ||||
| 7 | 1,6-Octadien-3-ol, 3,7-dimethyl- | −4.4 | Ser 222, Gly 189 | Phe 190, Lys 221, Arg 63, Pro 64 (2) | ||||||
| 14 | 3,6-Dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran | −5.3 | Ser 222 | Lys 221 (4), Phe 190, His 257 | ||||||
| 35 | Tetraconazole | −7.2 | Arg 255, Lys 221 | Gly 58, Thr 62, His 257 | Phe 190, Lys 221 | Asp 96 (2) | ||||