Table 2. Summary of the docking simulations results of the three hits on LieIF, Phos-LieIF and the mammalian eIF4AI (3EIQ_A).
Compound | 6-α-aminocholestanol | 6-β-aminocholestanol | 6-ketocholestanol | |
---|---|---|---|---|
Estimated free energy of binding | LieIF | -9.1 | -7.2 | -7.7 |
Phos-LieIF | -6.9 | -6.6 | -7.9 | |
eIF4AI | -5.5 | -3.5 | -4.1 | |
Estimated Ki (μM) | LieIF | 211.6 10−3 | 5.3 | 2.2 |
Phos-LieIF | 8.9 | 14.5 | 1.7 | |
eIF4AI | 94.5 | 2.6 103 | 973.6 |