Table 2. Comparison of structural similarities of HTS hits to licensed compounds used against HAT and to known TbHK1 inhibitors.
Compound | Proposed Mode of Antiparasitic Action1 | TbHK1 Inhibitor (SID) | Similarity Coefficient2(%) |
Pentamidine | Accumulation in the mitochondria, DNA binding | 17386310 | 31 |
Suramin | Inhibition of glycolysis | 24830882 | 38 |
24797131 | 38 | ||
Melarsoprol | Inhibition of glycolysis Interaction with thiols | 24830882 | 43 |
Eflornithine | Polyamine biosynthesis (via inhibition of ODC) | 14728414 | 27 |
Lonidamine | TbHK1 inhibitor3 | 16952891 | 47 |
Quercetin | TbHK1 inhibitor4 | 24797131 | 38 |