Table 1.
DENV2 NS2B/NS3 protease inhibition activities of 3,5-bis(arylidene)-4-piperidones (4a—4j).
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| Compd. | Ar | Ar׳ | Binding free energy (kcal/mol) | IC50 (µmol/L)a |
| 4a | 2-CH3Ph | 4-FPh | −10.00 | NDb |
| 4b | 2-ClPh | 4-FPh | −10.07 | ND |
| 4c | 2,4-Cl2Ph | 4-FPh | −10.39 | ND |
| 4d | 4-FPh | 4-FPh | −9.49 | ND |
| 4e | 4-NO2Ph | 4-FPh | −11.36 | 15.22±1.10 |
| 4f | 2-CH3Ph | 4-OCH3Ph | −10.53 | ND |
| 4g | 2-ClPh | 4-OCH3Ph | −10.25 | ND |
| 4h | 2,4-Cl2Ph | 4-OCH3Ph | −10.11 | ND |
| 4i | 4-FPh | 4-OCH3Ph | −9.81 | ND |
| 4j | 4-NO2Ph | 4-OCH3Ph | −11.09 | 16.23±1.30 |
| Panduratin A | – | – | −10.10 | 57.28±1.30 |
—Not applicable.
a
Values are indicated as means±standard deviations from 3 independent experiments performed in triplicate.
b
ND, Not determined as <10% inhibition at 50 µmol/L.