Table 2.
Molecular docking parameters of quercetin, kaempferol, and 1L1B, AKT1, EGFR, IL6, and VEGFA.
| Compounds (Ligand) | Targets (PDB ID) | RMSD (Å) | Binding energy (kJ/mol) | Center | Size |
|---|---|---|---|---|---|
| MOL000098 (quercetin) | 1L1B (5r8i) | 0 | −6.8 | x = 40.006, y = 8.701, z = 56.427 | x = 21, y = 21, z = 21 |
| AKT1 (4gv1) | 0 | −8.1 | x = −20.8, y = 7.36, z = 12.229 | x = 21, y = 21, z = 21 | |
| EGFR (3poz) | 1.953 | −8.5 | x = 16.656, y = 32.531, z = 18.518 | x = 21, y = 21, z = 33 | |
| IL6 (4ni9) | 0 | −7.8 | x = 16.922, y = 20.285, z = −0.956 | x = 21, y = 21, z = 21 | |
| VEGFA (5o4e) | 0 | −7.2 | x = 157.73, y = 8.079, z = 144.882 | x = 21, y = 21, z = 21 | |
| MOL000422 (kaempferol) | 1L1B (5r8i) | 1.71 | −6.6 | x = 4 0.006, y = 8.701, z = 56.427 | x = 21, y = 21, z = 21 |
| AKT1 (4gv1) | 0 | −7.6 | x = −20.8, y = 7.36, z = 12.229 | x = 21, y = 21, z = 21 | |
| EGFR (3poz) | 0 | −8.3 | x = 16.656, y = 32.531, z = 18.518 | x = 21, y = 21, z = 33 | |
| IL6 (4ni9) | 1.44 | −7.7 | x = 16.922, y = 20.285, z = −0.956 | x = 21, y = 21, z = 21 | |
| VEGFA (5o4e) | 0 | −6.8 | x = 157.73, y = 8.079, z = 144.882 | x = 28, y = 21, z = 21 |