Table 3. List of Sugar Osmolytes and Their Docking Parameters with α-LA.
| compound | affinity (kcal/mol) | pKi | ligand efficiency (kcal/mol/non-H atom) | torsional energy |
|---|---|---|---|---|
| sucrose | –5.8 | 4.25 | 0.25 | 4.04 |
| fructose | –5.4 | 3.96 | 0.45 | 1.86 |
| glucose | –5.3 | 3.89 | 0.44 | 1.86 |
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