Table 5 Molecular Docking scores (C-Docker interaction energy) for 2W3L and 1XKK enzymes.
Compound name | 2W3L C-Docker interaction energy | 1XKK C-Docker interaction energy |
|---|---|---|
Ligand of 2W3L: Phenyl Tetrahydroisoquinoline amide | 43.8862 | |
Ligand of 1xkk: Lapatinib | 69.8465 | |
Afzelin | 38.4124 | 58.7544 |
Fisetin O-rhamnoside | 37.8179 | 59.1423 |
Alangilignoside D | 44.4558 | 57.2688 |
Gallic acid | 20.7058 | 24.627 |
Ferulic acid | 25.4504 | 28.4905 |
Kaempferol | 30.0543 | 40.4677 |
Caffeic acid | 24.355 | 25.6133 |
Apigenin | 28.0144 | 38.4715 |
Protocatechuic acid | 18.7929 | 22.6784 |
