Table 5 Molecular docking results of PyRx software for EGFR and ERBB2 proteins
Type of molecules | EGFR protein | ERBB2(HER-2) protein | ||||
|---|---|---|---|---|---|---|
Binding affinity (kcal/mol) | Upper bind RMSD | Lower bind RMSD | Binding affinity (kcal/mol) | Upper bind RMSD | Lower bind RMSD | |
ZINC09045651 | − 7.4 | 0.0 | 0.0 | − 7.8 | 0.0 | 0.0 |
ZINC08433190 | − 9.4 | 0.0 | 0.0 | − 9.5 | 0.0 | 0.0 |
ZINC00702764 | − 7.3 | 0.0 | 0.0 | − 7.2 | 0.0 | 0.0 |
ZINC00710252 | − 9.0 | 0.0 | 0.0 | − 8.9 | 0.0 | 0.0 |
ZINC00668789 | − 8.6 | 0.0 | 0.0 | − 8.3 | 0.0 | 0.0 |