Table 3.
Binding energy comparison between the reported Mt inhibitors and six compounds.
| Compound name | -CDOCKER interaction (kcal/mol) | Binding energy (kcal/mol) |
|---|---|---|
| comp1 | 51.4398 | −138.971 |
| comp2 | 47.7706 | −150.121 |
| comp3 | 44.6003 | −135.839 |
| comp5 | 40.0093 | −83.1029 |
| comp10 | 45.6705 | −153.886 |
| comp11 | 42.5373 | −149.82 |
| Compound 2 | 50.1015 | −127.768 |
| Compound 7a | 45.6095 | −119.457 |