Table 5.
Docking scores and distance from the zinc atom of the examined compounds and the co-crystallized inhibitors at the binding site of the hCA-II and hCA-XII enzymes.
Phenolic Compounds | hCA-II | hCA-XII | ||
---|---|---|---|---|
Docking Score (kcal · mol−1) |
Distance Zn2+ (Å) |
Docking Score (kcal · mol−1) |
Distance Zn2+ (Å) |
|
2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid | −4.86 | 1.76 | 1 NT | NT |
2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | NT | NT | −3.67 | 1.76 |
Apigenin | −5.70 | 2.23 | −5.64 | 2.01 |
Caffeic acid | −4.46 | 2.05 | −5.26 | 2.12 |
Chlorogenic acid | −5.73 | 2.06 | −5.95 | 2.17 |
Kaempferol | −5.31 | 2.06 | −4.90 | 2.04 |
Naringenin | −5.32 | 2.05 | −5.02 | 2.00 |
Quercetin | −5.13 | 2.23 | −5.29 | 2.17 |
Rosmarinic acid | −4.72 | 2.05 | −5.73 | 2.12 |
Syringic acid | −5.48 | 2.05 | −4.89 | 2.15 |
1 NT: Not Tested.