TABLE 3.
CHIKV inhibitors identified by in silico approaches (molecular docking, homology modeling, pharmacophore modeling)
| Compound | Viral target | Resistance mutation(s) | Confirmed in enzymatic assays? | Confirmed in infected cells? |
In vitro efficacy |
In vivo efficacy |
Reference | |||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CHIKV strain (genotype) | EC50b | CC50 (μM) | Cell line | CHIKV strain (genotype) | Efficacy | Mouse model | ||||||
| 25 | nsP2 | —a | No | Yes | IO 899 (ECSA) | 3.2 ± 1.8 | 101 ± 50 | Vero | — | — | — | 78 |
| 7 | nsP2 | — | No | Yes | LR2006 OPY1 (ECSA) | 0.42 | >100 | Vero | — | — | — | 79 |
| 8 | nsP2 | — | Yes | Yes | LR2006 OPY1 (ECSA) | ∼1.5 | >200 | BHK-21 | — | — | — | 80 |
| 3a | nsP2 | — | No | Yes | n.s. | 8.76 μg/ml | n.s. | Vero | — | — | — | 81 |
| 4b | nsP2 | — | No | Yes | n.s. | 8.94 μg/ml | n.s. | Vero | — | — | — | 81 |
| Baicalin | nsP3 | — | No | Yes | MY/065/08/FN295485 (ECSA) | 5 | >600 | Vero | — | — | — | 90 |
a
—, not determined/not done (in vivo studies).
b
Data represent micromoles unless otherwise indicated.