Table 1.
SN | Compound ID | Structure | NSC ID | Docking score | Percent inhibition at 100 μg/mL | IC50 (μg/mL)* | IC50 (μM) |
---|---|---|---|---|---|---|---|
1 | A5 | 48602 | −10.69 | 77 | 44.97±0.209 | 100.48 | |
2 | A26 | 373094 | −10.62 | 65 | 76.73±2.996 | 175.58 | |
3 | A35 | 658421 | −10.85 | 85 | 33.36±1.796 | 88.16 | |
4 | A36 | 668266 | −10.74 | 82.51 | 10.48±1.488 | 28.94 | |
5 | A48 | 106111 | −10.53 | 64 | 99.10±0.417 | 273 | |
6 | A65 | 615614 | −10.47 | 84 | 39.17±3.075 | 114.42 | |
7 | A70 | 652821 | −10.35 | 74 | 68.69±3.379 | 189.5 | |
8 | CHM-1 | 78.73 | 0.68±0.118 | 2.42 |
Notes: Compounds were evaluated for their inhibitory potential at 100 μg/mL and the compounds with greater than 60% inhibition of BioA were further evaluated for the determination of their IC50 values.
IC50 values depict the values as the mean ± SD.
Abbreviations: BioA, 7,8-diaminopelargonic acid synthase; SN, serial number; NSC, Cancer Chemotherapy National Service Center number.