Table 1 Results of docking analysis in the AutoDock Vina software within the gridbox for CAT enzyme
Modea | Affinityb (kcal/mol) | Distance from best modec | |
|---|---|---|---|
Rmsd l.b. | Rmsd u.b. | ||
1 | −6.2 | 0.000 | 0.000 |
2 | −6.0 | 4.029 | 5.068 |
3 | −6.0 | 33.091 | 34.244 |
4 | −5.9 | 5.160 | 6.090 |
5 | −5.9 | 1.937 | 2.919 |
6 | −5.9 | 3.668 | 4.420 |
7 | −5.8 | 35.074 | 36.231 |
8 | −5.8 | 3.046 | 3.633 |
9 | −5.8 | 2.860 | 3.907 |