Table 1.
Inhibitor key numbers and inhibition modes of HST and HSD for DENV2, YFV, WNV, and ZIKV NS2B/NS3pro.
| Protease | Molecule | IC50 a | Inhibition Mode | pIC50 b | LE c | N d | Reference |
|---|---|---|---|---|---|---|---|
| DENV2 NS2B/NS3pro | HST | 4.7 ± 0.8 | noncompetitive | 5.33 | 0.34 | 22 | |
| HSD | 55.7 ± 2.5 | noncompetitive | 4.25 | 0.14 | 43 | ||
| YFV NS2B/NS3pro | HST | 2.0 ± 0.5 | noncompetitive | 5.69 | 0.36 | 22 | |
| HSD | 67.7 ± 7.5 | noncompetitive | 4.17 | 0.13 | 43 | ||
| WNV NS2B/NS3pro | HST | 4.3 ± 1.6 | noncompetitive | 5.37 | 0.34 | 22 | |
| HSD | 50.7 ± 8.3 | noncompetitive | 4.29 | 0.14 | 43 | ||
| ZIKV NS2B/NS3pro | HST | 12.6 ± 1.3 | noncompetitive | 4.90 | 0.31 | 22 | [11] |
| HSD e | - | - | - | - | - | [11] |
a IC50 value ± STD in µM. b Logarithm of IC50 value (pIC50). c Ligand efficiency (LE): LE > 0.3 suggests that the molecule is a potent lead compound. d Number of non-hydrogen atoms (N). e HSD was not further investigated in Eberle et al., 2021 [11].