Table 1 ALR2 inhibition activities, binding properties, and antioxidant capacities of compounds 5a–j.
Compd. | IC50 (nM) | Biding affinity (kcal/mol) | Docking score | ORAC (U/ml) | ||
|---|---|---|---|---|---|---|
12.5 (μg/ml) | 6.25 (μg/ml) | 3.125 (μg/ml) | ||||
5a | 137.1 ± 2.9 | −10.6 | −11.675 | 49.8 ± 1.7 | 52.4 ± 2.1 | 57.0 ± 2.3 |
5b | 135.9 ± 2.4 | −11.8 | −11.744 | 42.9 ± 3.3 | 44.1 ± 2.5 | 47.1 ± 2.4 |
5c | 315.7 ± 6.2 | −9.4 | −9.037 | 26.4 ± 2.9 | 30.4 ± 1.7 | 32.4 ± 1.8 |
5d | 404.4 ± 7.0 | −8.3 | −7.208 | 33.3 ± 4.1 | 35.4 ± 3.2 | 38.3 ± 1.9 |
5e | 99.8 ± 2.0 | −12.1 | −11.845 | 60.4 ± 2.2 | 62.6 ± 1.5 | 65.7 ± 2.7 |
5f | 72.7 ± 1.6 | −12.3 | −12.859 | 65.7 ± 5.1 | 66.5 ± 1.6 | 68.1 ± 2.3 |
5g | 272.5 ± 4.6 | −9.9 | −9.775 | 30.4 ± 3.7 | 33.9 ± 1.4 | 38.3 ± 2.6 |
5h | 251.6 ± 4.6 | −9.4 | −10.097 | 42.8 ± 1.1 | 45.2 ± 1.3 | 50.3 ± 3.2 |
5i | 220.7 ± 3.9 | −10.0 | −11.528 | 35.3 ± 2.1 | 35.6 ± 3.9 | 36.4 ± 3.5 |
5j | 246.6 ± 4.5 | −11.1 | −10.167 | 30.6 ± 2.2 | 35.3 ± 1.7 | 38.6 ± 1.9 |
CHCA | 132.7 ± 1.8 | – | – | 48.8 ± 1.3 | 51.2 ± 1.1 | 52.3 ± 3.1 |
Mangiferin | 138.0 ± 2.2 | – | – | 73.2 ± 7.2 | 74.8 ± 0.8 | 75.3 ± 0.4 |
Trolox | – | – | – | 85.2 ± 4.3 | 92.8 ± 2.7 | 95.3 ± 3.7 |
Epalrestat | 61.3 ± 1.3 | – | – | – | – | – |
