Table 1.
Structure | Compound | clogD a |
P. falciparum D10 IC50 (µM) b |
P. falciparum W2 IC50 (µM) b |
---|---|---|---|---|
(5S, αS)-1a | 0.02 | 0.35 ± 0.08 | 0.34 ± 0.12 | |
(5R, αS)-1b | 23.54 ± 0.31 | 24.75 ± 0.90 | ||
(5S, αR)-1c | 7.49 ± 1.48 | 8.47 ± 2.06 | ||
(5R, αR)-1d | 8.79 ± 1.12 | 10.18 ± 1.75 | ||
(5S, αS)-2a | 0.04 | 0.79 ± 0.21 | 0.88 ± 0.23 | |
(5R, αS)-2b | 17.14 ± 5.91 | 17.18 ± 7.39 | ||
(5S, αR)-2c | 40.67 ± 16.20 | 48.18 ± 14.81 | ||
(5R, αR)-2d | 8.27 ± 1.05 | 7.42 ± 3.54 | ||
(5S, αS)-3a | 1.41 | 0.37 ± 0.12 | 0.26 ± 0.05 | |
(5R, αS)-3b | 32.65 ± 18.10 | 34.85 ± 5.30 | ||
(5S, αR)-3c | 19.35 ± 4.34 | 16.51 ± 8.11 | ||
(5R, αR)-3d | 4.31 ± 0.51 | 4.50 ± 1.82 | ||
(5S, αS)-4a | 0.76 | 0.36 ± 0.11 | 0.48 ± 0.18 | |
(5R, αS)-4b | 18.20 ± 1.15 | 18.20 ± 0.93 | ||
(5S, αR)-4c | 19.35 ± 2.15 | 19.35 ± 3.36 | ||
(5R, αR)-4d | 8.55 ± 1.95 | 8.91 ± 3.40 |
a The clogD values (pH 7.4) were calculated by using ACD/pKa GALAS algorithm of ACD/Percepta software (ACD/Percepta, Advanced Chemistry Development, Inc., Toronto, ON, Canada, 2017, http://www.acdlabs.com (accessed on 5 September 2022). b pLDH method; data are the mean of three independent experiments ± SD; D10: CQ-susceptible P. falciparum strain; W2: CQ-resistant P. falciparum strain.