Table 4.
Molecular interactions analysis between hit phytocompounds, controls, and EGFR (3POZ.PDB).
| Phytocompounds | Hydrogen Bond Interactions | Pi-Sigma | Hydrophobic Interaction | |
|---|---|---|---|---|
| Residues | Distances (Å) | |||
| Diosgenin | LYS745 and MET793 | 1.81 and 1.91 | PHE723 | LEU718, PHE723, VAL726, ALA743, CYS799, and LEU844 |
| Monohydroxy spirostanol | THR854 | 2.01 | ----- | VAL726, ALA743, MET766, LYS745, CYS775, LEU844, LEU777, LEU788, PHE856, and LEU858 |
| Tak-285 (control) | LEU777, THR790, and MET793 |
3.45, 3.60, and 2.78 |
LEU718 and LEU844 | VAL726, ALA743, LYS745, PHE766, CYS775, LEU788, LEU792, PHE856, and LEU858 |
| Lapatinib | ---- | ---- | MET766, THR790, and LEU844 | LEU718, VAL726, ALA743, LYS745, LEU777, LEU792, MET793, LEU844, and PHE856 |