Table 4.
Docking scores of the selected phenolic compounds from W. fruticosa leaves and reference standard drugs with HPA (PDB ID: 3BAJ) for antidiabetic activity and SERT3 (PDB ID: 5I6X), DAT (PDB ID: 4M48), MAO-A (PDB ID: 2Z5Y), and nNOS (PDB ID: 4UH5) for the antidepressant activity.
| Protein(s) | HPA | SERT3 | DAT | MAO-A | nNOS |
|---|---|---|---|---|---|
| PDB ID(s) | 3BAJ | 5I6X | 4M48 | 2Z5Y | 4UH5 |
| Compound(s) | Docking Scores (kcal/mol) | ||||
| GA | −5.136 | −5.859 | −4.838 | −7.86 | −4.688 |
| MTMG | −3.429 | −4.782 | −6.015 | −6.532 | −3.699 |
| EA | −5.08 | −6.415 | −7.658 | −7.951 | −5.329 |
| Q3LA | −6.84 | −8.398 | −9.794 | - | −5.378 |
| M3LA | −6.105 | −7.378 | −10.796 | - | −5.912 |
| Q3DG | −7.41 | −8.678 | −10.62 | - | −8.449 |
| Standard | −7.752 | −9.426 | −7.159 | −6.782 | - |
GA, gallic acid; MTMG, methyl tri-O-methylgallate; EA, ellagic acid; Q3LA, quercetin 3-O-α-L-arabinopyranoside; M3LA, myricetin 3-O-α-L-arabinopyranoside; Q3DG, quercetin 3-O-(6″-galloyl)-β-D-galactopyranoside; Standard: Acarbose (HPA), Fluoxetine (SERT3), Bupropion (DAT), Phenelzine (MAO-A).