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. 2023 Jan 25;13(2):332. doi: 10.3390/life13020332

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.