TABLE 5.
The binding energy and energy contribution of ligand CM9 inside the active site of MET and FLT4 obtained from MMPBSA analysis in kJ/mol.
| Energy (MET) (kJ/mol) | Energy (FLT4) (kJ/mol) | |
|---|---|---|
| Van der Waal energy | −285.260 ± 12.278 | −252.696 ± 10.873 |
| Electrostattic energy | −52.178 ± 9.918 | −44.413 ± 11.507 |
| Polar solvation energy | 243.885 ± 19.192 | 191.590 ± 18.692 |
| SASA energy | −34.061 ± 2.111 | −35.126 ± 2.523 |
| Binding energy | −127.614 ± 17.434 | −140.645 ± 16.169 |
| CM9 | −168.6113 ± 0.7882 | −148.4372 ± 0.7555 |