Table 4. Binding Scores Obtained from Molecular Docking Calculations.
AutoDock
Vina binding scores (kcal/mol) |
AutoDock
Vina binding scores (kcal/mol) |
||||
---|---|---|---|---|---|
compounds | hCA I | hCA II | compounds | hCA I | hCA II |
3a | –5.80 | –6.20 | 14 | –5.70 | –6.10 |
3b | –6.20 | –6.00 | 15 | –5.70 | –6.10 |
3c | –6.10 | –5.90 | 16 | –7.10 | –7.40 |
4a | –6.10 | –6.50 | 17 | –6.90 | –7.60 |
4b | –6.40 | –6.20 | 18 | –6.90 | –7.80 |
4c | –6.30 | –6.00 | 19 | –7.40 | –7.40 |
7 | –5.80 | –6.40 | 20 | –6.90 | –7.40 |
8 | –5.60 | –6.40 | 21 | –6.90 | –7.30 |
9 | –5.60 | –6.60 | 22 | –6.50 | –7.00 |
10 | –5.70 | –5.90 | 23 | –6.60 | –7.10 |
11 | –5.90 | –6.00 | 24 | –6.60 | –7.30 |
12 | –5.90 | –6.00 | acetazolamide | –5.50 | –5.90 |
13 | –5.70 | –5.70 |