Table 4.
Free binding energy (kJ/mol) components between candidate compounds and the E6 protein of HPV-16.
| Complex | VWE | EE | PSE | SASA energy | BE |
|---|---|---|---|---|---|
| CID_73212812 | -174.926 ± 1.022 | -176.284 ± 2.006 | 174.833 ± 2.982 | -13.700 ± 0.089 | -190.403 ± 2.679 |
| CID_91059286 | -222.609 ± 1.529 | -3.206 ± 0.928 | 72.493 ± 2.015 | -16.283 ± 0.108 | -169.836 ± 1.880 |
| CID_6983807 | -195.940 ± 1.296 | -53.952 ± 1.301 | 86.917 ± 1.446 | -15.296 ± 0.093 | -178.005 ± 1.978 |
| Cidofovir | -200.595 ± 2.127 | -28.208 ± 1.561 | 76.826 ± 1.943 | -16.254 ± 0.100 | -168.152 ± 2.492 |
| Jaceosidin | -168.033 ± 1.876 | -66.463 ± 1.823 | 114.437 ± 2.081 | -15.393 ± 0.196 | -135.476 ± 2.375 |
VWE, Van der Waals energy; EE, electrostatic energy; PSE, polar solvation energy; SASA, solvent-accessible surface area; BE, binding energy.