Table 7 Energy involved during molecular interactions of pendimethalin with antioxidant enzymes.
Antioxidant enzymes | Free energy of binding (kcal/mol) | Inhibition constant (Ki) | Hydrogen bond interactions | Hydrophobic interactions |
|---|---|---|---|---|
SOD | − 1.83 | 45.34 mM | – | LYS70 LYS136 |
CAT | − 8.23 | 930.77 nM | VAL73 ARG71 ARG111 (×2) HIS74 | ARG71 ALA132 VAL145 TRY357 (×2) HIS361 |
GR | − 3.15 | 4.89 mM | LYS407 ARG423 (×2) | CYS239 (×2) LYS407 ARG423 |
