Table 6.
The interaction patterns of co-crystallized ligands and examined phenolic compounds at the binding sites of hCA-II and hCA-XII enzymes. The common interactions among the tested compounds and co-crystallized ligands are marked in bold font.
| Phenolic Compounds | hCA-II (PDB ID: 5AML) |
hCA-XII (PDB ID: 5MSA) |
|---|---|---|
| Interactions | ||
| 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid | 1 HB: Gln92, Thr199 & 2 mc | |
| 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | HB: Thr198 & mc | |
| Apigenin | HB: Thr199 & mc | HB: Lys69, Thr198 & mc |
| Caffeic acid | HB: Thr199, Asn67 & mc | HB: Thr198 & mc |
| Chlorogenic acid | HB: Trp5, Asn67, Gln92, Thr199, Pro201 & mc | HB: Thr88, Gln89 & mc |
| Kaempferol | HB: Thr199 & mc | mc |
| Naringenin | HB: Gln92, His64, Thr199 & pi-pi Phe131 & mc | HB: Thr198 & mc |
| Quercetin | pi-pi: His94, Phe131 & mc | HB: Thr198, Thr199 & mc |
| Rosmarinic acid | HB: Trp5, Asn67, Gln92, Thr199, Pro201 & mc | HB: Trp4, Gln89, Thr198, Pro200 & mc |
| Syringic acid | HB: Thr199, Thr200 & pi-pi His94 & mc | HB: Gln89, Thr198 & mc |
1 HB: Hydrogen Bond; 2 mc: metal-coordination.