Table 8.
Interaction and bond distances of identified compounds from LSNHF with serotonin transporter (PDB: 5I6X)-binding sites for antidepressant activity.
| Protein | Ligand | Hydrogen-bond interactions |
Hydrophobic interactions |
||
|---|---|---|---|---|---|
| Amino acid residue | Distance (Å) | Amino acid residue | Distance (Å) | ||
| 5I6X | Butanoic acid, 2-methyl- | ASP98 | 1.588 | TYR95 | 4.358 |
| SER336 | 2.746 | TYR95 | 5.235 | ||
| GLY338 | 3.047 | ||||
| Phenol, 2-methoxy-4-(2-propenyl)-, acetate | SER336 | 2.572 | TYR95 | 5.311 | |
| TYR95 | 2.590 | TYR176 | 5.444 | ||
| ALA172 | 4.469 | ||||
| ILE172 | 4.739 | ||||
| TRY176 | 4.891 | ||||
| ILE172 | 5.227 | ||||
| Undec-10-ynoic acid, tetradecyl ester | ALA173 | 4.039 | |||
| ILE172 | 4.252 | ||||
| VAL501 | 4.181 | ||||
| PHE341 | 4.365 | ||||
| 7-Hexadecenal, (Z)- | ASN177 | 2.076 | PHE341 | 2.879 | |
| ALA173 | 2.964 | ILE172 | 3.835 | ||
| SER439 | 2.872 | ||||
| 2-Tridecenoic acid, (E)- | TYR95 | 1.855 | PHE335 | 4.186 | |
| PHE556 | 4.970 | ||||
| Oleic acid | ASP98 | 1.574 | PHE335 | 4.327 | |
| Eicosanoic acid | TYR95 | 1.575 | LEU99 | 4.359 | |
| ALA96 | 2.589 | ILE179 | 5.177 | ||
| LEU406 | 4.430 | ||||
| LEU431 | 4.109 | ||||
| PHE407 | 3.970 | ||||
| Docosane, 1,22-dibromo- | ALA173 | 3.541 | |||
| LEU443 | 4.273 | ||||
| LEU99 | 3.915 | ||||
| ILE179 | 5.039 | ||||
| LEU406 | 4.836 | ||||
| LEU431 | 3.847 | ||||
| PHE407 | 4.264 | ||||