TABLE 2.
Information of molecular docking analysis.
Protein name | PDB ID | Hydrogen bond (bond length) | Docking binding energy/kcal·mol−1 |
---|---|---|---|
PI3K | 3APC | GLN-1071 (1.9, 3.3), GLU-981 (3.0) | −7.32 |
AKT | 1GZK | TYR-417 (1.9) | −5.61 |
EGFR | 3IKA | THR-710 (2.1, 2.2) | −4.64 |
ERK1/2 | 5LCJ | LEU-294 (2.0, 2.2) | −9.21 |
JNK | 3V6R | GLU-369 (2.2, 2.4) | −4.39 |
P38 | 2GHL | ASP-324 (2.6), PRO-322 (1.9), ARG-73 (2.9, 3.0, 3.2) | −7.63 |