Table 4. Total Free Binding Energies (ΔGTotal binding ± SD) and Dissected Energy Terms Regarding Investigated Anthelmintic Agents and Reference Inhibitor at the VEGFR-2 Active Site.
| ligand–protein complex |
||||
|---|---|---|---|---|
| energy (kJ/mol ± SD) | FBZ | MBZ | ABZ | GIG |
| ΔGvan der Waal | –158.88 ± 10.57 | –164.78 ± 35.98 | –155.90 ± 16.17 | –247.06 ± 49.17 |
| ΔGElectrostatic | –23.68 ± 35.00 | –29.06 ± 44.78 | –23.72 ± 21.09 | –36.04 ± 52.00 |
| ΔGSolvation; Polar | 93.36 ± 47.82 | 110.30 ± 38.65 | 98.82 ± 38.73 | 160.76 ± 49.30 |
| ΔGSolvation; SASA | –16.08 ± 1.91 | –15.95 ± 2.46 | –15.48 ± 1.63 | –25.07 ± 4.78 |
| ΔGTotal binding | –105.28 ± 11.82 | –99.52 ± 23.18 | –96.28 ± 39.37 | –147.41 ± 19.77 |