Table 4 Docking results for SSDC and AZA with the target protein of human carbonic anhydrase 5FL4
Antimicrobial activity | Target protein | Binding energy (kcal/mol) | Inhibition constant (µM) | Hydrogen bonds | Interacting residues | Bond distance (Å) |
|---|---|---|---|---|---|---|
SSDC | 5FL4 | -12.19 | 1.15 × 10–3 | 7 | Val130(A) | 3.00 |
Arg129(A) | 3.08 | |||||
Asp131(A) | 2.84 | |||||
Asp131(C) | 3.32 | |||||
Arg129(C) | 2.69 | |||||
Arg129(C) | 3.29 | |||||
Leu91(A) | 2.83 | |||||
AZA | 5FL4 | -7.36 | 4.02 | 5 | Arg129(C) | 2.90 |
Asp131(C) | 3.06 | |||||
Arg129(A) | 3.22 | |||||
Val130(A) | 3.01 | |||||
Ala128(C) | 2.88 |