Table 1.
The screening results of 29 test compounds and two positive controls
| Compound | Concentration [μM] | Inhibitory effect on HIV-1 replicationa | Cytotoxicityb | Solubilityc | Docking scored |
|---|---|---|---|---|---|
| 1 | 40 | − | − | − | −10.75 |
| 2 | 11 | − | + | − | −10.69 |
| 3 | 30 | − | + | − | −10.62 |
| 4 | 9 | ++ | − | + | −10.61 |
| 5 | 12.5 | − | + | − | −10.58 |
| 6 | 10 | + | + | − | −10.58 |
| 7 | 40 | − | − | − | −10.48 |
| 8 | 40 | − | − | + | −10.41 |
| 9 | 40 | − | + | + | −10.39 |
| 10 | 10 | − | + | + | −10.35 |
| 11 | 40 | − | + | − | −10.31 |
| 12 | 10 | ++ | + | − | −10.29 |
| 13 | 6 | − | + | − | −10.27 |
| 14 | 9 | − | + | − | −10.26 |
| 15 | 10 | − | + | + | −10.23 |
| 16 | 5 | − | + | − | −10.22 |
| 17 | 10 | − | + | − | −10.21 |
| 18 | 12.5 | − | + | − | −10.20 |
| 19 | 40 | − | + | − | −10.14 |
| 20 | 40 | − | + | + | −10.11 |
| 21 | 40 | − | + | − | −10.10 |
| 22 | 20 | − | − | + | −10.10 |
| 23 | 9 | ++ | + | − | −10.09 |
| 24 | 40 | − | − | + | −10.09 |
| 25 | 40 | − | − | − | −10.05 |
| 26 | 40 | − | − | − | −10.03 |
| 27 | 40 | − | + | − | −10.01 |
| 28 | 10 | − | + | + | −10.00 |
| 29 | 10 | − | + | − | −10.00 |
| D4 e | 40 | ++ | − | − | NCf |
| FD8 e | 40 | ++ | − | − | NCf |
aViral replication was more than 30 % inhibited judging by the reduction of luciferase activity, which was not obviously due to the cytotoxicity of the compound, in both U87.CD4.CXCR4 and MT4 cell lines (++), in either cell line (+) or in neither cell line (−)
bThe viability of 293T, U87.CD4.CXCR4, and/or MT4 cells was more (−) or less than 70 % (+) in the presence of the compound at 40 μM
cPresence (+) or absence (−) of crystals in DMEM medium containing 0.2 % DMSO
dThe score was calculated by MOE
eControl compounds
fNot calculated