Table 2 Results of the docking analysis in Autodock Vina for halogenated boroxine and human carbonic anhydrase
Mode | Affinity (kcal/mol) | Distance from best mode | |
|---|---|---|---|
Rmsd l.b. | Rmsd u.b. | ||
1. | −6.8 | 0.000 | 0.000 |
2. | −6.6 | 1.267 | 1.405 |
3. | −6.2 | 4.014 | 5.391 |
4. | −6.1 | 3.728 | 5.164 |
5. | −6.0 | 11.923 | 12.188 |
6. | −5.9 | 5.931 | 6.820 |
7. | −5.9 | 2.629 | 2.948 |
8. | −5.9 | 11.523 | 11.937 |
9. | −5.8 | 12.626 | 13.001 |