Table 1 Top 10 pyruvate analogues with better free binding energy values in comparison with substrate
S.No | Inhibitors | ΔG values (kcal/mol) | Molecular Weight |
|---|---|---|---|
1. | Pyruvate_16012 | -9.07 | 197.516 |
2. | Pyruvate_14540 | -8.94 | 192.133 |
3. | Pyruvate_10444 | -8.87 | 175.082 |
4. | Pyruvate_14988 | -8.81 | 194.129 |
5. | Pyruvate_13516 | -8.62 | 192.049 |
6. | Pyruvate_10892 | -8.60 | 177.078 |
7. | Pyruvate_12332 | -8.56 | 180.073 |
8. | Pyruvate_14380 | -8.54 | 193.141 |
9. | Pyruvate_13658 | -8.50 | 207.084 |
10. | Pyruvate_11915 | -8.43 | 162.063 |