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. 2023 Apr 3;28(7):3172. doi: 10.3390/molecules28073172

Table 1.

Chemical structures, clogD, and IC50s against P. falciparum D10 and W2 strains.

Structure Compound clogD a P. falciparum
D10 IC50 (µM) b
P. falciparum
W2 IC50 (µM) b
graphic file with name molecules-28-03172-i001.jpg (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
graphic file with name molecules-28-03172-i002.jpg (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
graphic file with name molecules-28-03172-i003.jpg (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
graphic file with name molecules-28-03172-i004.jpg (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.