Table 1. Calculated Thermodynamic Changes (kcal/mol) upon Binding for the Five Tested HIV-1 Protease Inhibitors.
KB-98 | AD-93 | KB-92 | AD-94 | AD-86 | |
---|---|---|---|---|---|
ΔG | –24.3 | –26.0 | –19.8 | –19.5 | –20.1 |
ΔH | –46.9 | –49.7 | –44.5 | –45.6 | –45.1 |
–TΔS | 22.6 | 23.7 | 24.8 | 26.1 | 24.96 |
no. rot. bonds | 13 | 14 | 15 | 15 | 17 |