Table 6.
Interaction and bond distances of identified compounds from LSNHF with cyclooxygenase-2 (PDB: 1CX2)-binding sites for anti-inflammatory activity.
| Protein | Ligand | Hydrogen-bond interactions |
Hydrophobic interactions |
||
|---|---|---|---|---|---|
| Amino acid residue | Distance (Å) | Amino acid residue | Distance (Å) | ||
| 1CX2 | Butanoic acid, 2-methyl- | SER530 | 2.0574 | ALA527 | 4.140 |
| ALA527 | 2.607 | LEU352 | 5.174 | ||
| SER530 | 2.713 | VAL523 | 3.948 | ||
| TYR385 | 4.383 | ||||
| TRP387 | 7.909 | ||||
| PHE518 | 5.458 | ||||
| Phenol, 2-methoxy-4-(2-propenyl)-, acetate | ARG120 | 2.317 | LEU352 | 5.092 | |
| TYR355 | 2.057 | TYR385 | 4.708 | ||
| ALA527 | 2.687 | TRP387 | 4.946 | ||
| VAL349 | 5.169 | ||||
| LEU352 | 5.190 | ||||
| VAL523 | 4.842 | ||||
| ALA527 | 3.808 | ||||
| 7-Hexadecenal, (Z)- | ARG120 | 2.470 | LEU352 | 5.215 | |
| MET522 | 4.835 | ||||
| VAL523 | 4.703 | ||||
| TRP387 | 5.205 | ||||
| PHE518 | 3.928 | ||||
| 2-Tridecenoic acid, (E)- | ARG513 | 2.794 | LEU384 | 5.034 | |
| LEU352 | 2.091 | MET522 | 4.473 | ||
| ARG513 | 3.084 | TRO387 | 4.827 | ||
| ARG513 | 2.914 | PHE518 | 4.883 | ||
| Oleic Acid | PHE518 | 2.131 | LEU352 | 5.039 | |
| MET522 | 4.941 | ||||
| TRP387 | 5.036 | ||||
| PHE518 | 3.922 | ||||
| Eicosanoic acid | GLN192 | 2.469 | PHE381 | 5.392 | |
| TYR385 | 4.620 | ||||
| TRP387 | 5.311 | ||||