Table 3.
Binding affinity of some phytochemical compounds identified in Tetrapleura tetraptera methanol fruit extract with human glutamine synthetase.
| Ligand | Binding Affinity (Kcal/mol) | RMSD upper bound | RMSD lower bound | Molecular weight (g/mol) |
|---|---|---|---|---|
| Aridanin | −8.6 | 0 | 0 | 659.9 |
| Naringenin | −8.3 | 0 | 0 | 272.25 |
| Ferulic acid | −6.4 | 0 | 0 | 194.18 |
| Scopolectin | −7.1 | 0 | 0 | 192.17 |
Aridanin, a lead compound that is peculiarly isolated from Tetrapleura tetraptera fruit, has the minimum binding energy compared to other phytocompounds. The low value of RMSD (less than 1.5Ǻ, it is zero in this case) indicates the accuracy of docking. RMSD: Root mean square deviation.