Table 4.
Molecular-docking scores for the identified compounds from LSNHF.
| Compounds | Docking score (kcal/mol) |
|||
|---|---|---|---|---|
| PDB:2OYE | PDB:1CX2 | PDB: 4UUJ | PDB: 5I6X | |
| Butanoic acid, 2-methyl- | −4.314 | −4.413 | −2.847 | −3.478 |
| Phenol, 2-methoxy-4-(2-propenyl)-, acetate | −7.072 | −6.907 | −2.999 | −5.541 |
| 9,9-Dimethoxybicyclo [3.3.1]nona-2,4-dione | – | – | – | – |
| Undec-10-ynoic acid, tetradecyl ester | – | – | −2.205 | −4.405 |
| 7-Hexadecenal, (Z)- | −1.498 | −1.677 | +1.271 | −1.341 |
| 2-Tridecenoic acid, (E)- | −2.003 | −1.746 | +0.966 | −0.136 |
| Oleic Acid | −2.189 | −2.241 | +0.522 | −0.945 |
| l-(+)-Ascorbic acid 2,6-dihexadecanoate | – | – | +0.163 | – |
| Eicosanoic acid | −5.127 | −5.014 | −3.398 | −4.629 |
| Docosane, 1,22-dibromo- | −6.553 | – | −2.577 | −5.318 |
| Cholesterol margarate | – | – | −2.827 | – |
| Standard drug | Aspirin (−6.057) | Aspirin (−5.631) | Diazepam (−3.036) | Fluoxetine hydrochloride (−9.556) |