Table 3. Binding energy and other parameters obtained by molecular docking analysis of interactions of different proteins with CAS–CH nanohybrids.
| Structure | Binding energy | Ligand efficiency | Inhibition constant | Intermolecular energy | Vander wall disolvation energy | Electrostatic energy | Total energy | Torsional energy |
| Sod1-chitosan | –2.16 | –0.06 | 26.19 | –7.53 | –4.58 | –2.68 | –7.41 | 5.37 |
| Sod1-calcium-alumino-silicate | –4.8 | –0.96 | 304.26 | –5.07 | –5.07 | 0.1 | 0.1 | 0.27 |
| P53-chitosan | –0.69 | –0.02 | 309.69 | –6.06 | –2.54 | –3.53 | –5.91 | 5.37 |
| P53-calcium aluminosilicate | –5.87 | –1.17 | 49.71 | –6.51 | –6.51 | 0.1 | 0.1 | 0.27 |