| 4-nitro phenol | Diazinon | ||
---|---|---|---|---|
Binding energy (Kcal/mol) | Ligand-recptor Interactions | Binding energy (Kcal/mol) | Ligand-recptor Interactions | |
Acetylcholinesterase (AchE) | − 2.3 | 1 H-bond with Tyr 133 Vanderwaal forces with Trp 86 | − 3.4 | 3 H-Bonds with Tyr 124, Tyr 337, and Ser 125 Vanderwaal forces with Trp 86 |
Lactate dehydrogenase (LDH) | − 12.3 | 1 H-bond with Asp 53 | − 15.6 | 1 H-bond with Gly 99 |
Protease | − 16.4 | 1 H-bond with Arg 740 | − 16.7 | 4 H-bonds with Ser 685, Lys 784, Arg 740 |