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. 2018 May 1;12:1065–1079. doi: 10.2147/DDDT.S144240

Table 1.

List of compounds exhibiting greater than 60% inhibition of BioA at 100 μg/mL

SN Compound ID Structure NSC ID Docking score Percent inhibition at 100 μg/mL IC50 (μg/mL)* IC50 (μM)
1 A5 graphic file with name dddt-12-1065Fig7.jpg 48602 −10.69 77 44.97±0.209 100.48
2 A26 graphic file with name dddt-12-1065Fig8.jpg 373094 −10.62 65 76.73±2.996 175.58
3 A35 graphic file with name dddt-12-1065Fig9.jpg 658421 −10.85 85 33.36±1.796 88.16
4 A36 graphic file with name dddt-12-1065Fig10.jpg 668266 −10.74 82.51 10.48±1.488 28.94
5 A48 graphic file with name dddt-12-1065Fig11.jpg 106111 −10.53 64 99.10±0.417 273
6 A65 graphic file with name dddt-12-1065Fig12.jpg 615614 −10.47 84 39.17±3.075 114.42
7 A70 graphic file with name dddt-12-1065Fig13.jpg 652821 −10.35 74 68.69±3.379 189.5
8 CHM-1 graphic file with name dddt-12-1065Fig14.jpg 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.