Table 4 Molecular docking scores of compounds with Intestinal Alkaline Phosphatase (IAP)
Protein | Ligand Codes | Binding energy Kcal/mol | Hydrogen bond forming residues | Hydrophobic interactions residues |
|---|---|---|---|---|
Intestinal Alkaline phosphatase (homology model) | 7a | -7.3 | SER363 | VAL361, TYR393, LEU392, TYR399, ARG406 |
7b | -6.9 | ARG87, HIS153 | HIS432 | |
7c | -7.2 | THR345 | ARG73, GLU339, ARG442, ALA70 | |
7d | -7.4 | SER363 | TYR399, LEU392, ARG406, PHE401 | |
7e | -7.9 | ARG314, GLU321, TYR276, GLN108 | ARG166, HIS432, ZN530, HIS317, HIS320, ASP316 | |
7f | -7.8 | SER92, HIS432, HIS317 | THR431, MG532, ARG166, ASP316, ZN530, PHE107 | |
L–Phenyl alanine | -5.4 | No | LEU329, ALA424, GLN422, TYR399, ARG406 |