Table 2 The molecular docking parameters
Targets | PDB ID | Ligands | Size of cube (X * Y * Z) (nm3) | Center grid box (X, Y, Z) | Binding free energy (kcal/mol) |
|---|---|---|---|---|---|
TLR2 | 2Z80 | Luteolin | 100*100*100 | −1.516 | −8.3 |
−14.704 | |||||
−14.946 | |||||
ERK | 7AUV | Quercetin | 96*80*124 | 0.759 | −8.3 |
4.044 | |||||
37.087 | |||||
AKT | 3O96 | Luteolin | 104*90*126 | 52.684 | −9.9 |
76.365 | |||||
34.530 | |||||
JNK | 2NO3 | Luteolin | 104*90*126 | 15.902 | −8.8 |
58.495 | |||||
0.023 |