Table 3. Docking scores of 2-pyrazoline derivatives
No | Compound | Docking score (kJ/mol) |
Model 1 | Model 2 | Model 3 | Model 4 |
1 | HP1 | -17.60 | -15.94 | -20.83 | -18.33 |
2 | HP2 | -17.53 | -17.01 | -18.12 | -14.48 |
3 | HP3 | -17.59 | -16.01 | -19.08 | -14.81 |
4 | HP4 | -16.13 | -17.77 | -20.32 | -14.92 |
5 | HP5 | -17.59 | -16.03 | -19.16 | -14.94 |
6 | HP6 | -14.71 | -21.49 | -13.06 | -19.70 |
7 | HP7 | -13.48 | -21.49 | -14.51 | -16.52 |
8 | HP8 | -15.42 | -17.96 | -13.73 | -18.79 |
9 | HP9 | -13.27 | -17.64 | -11.47 | -15.35 |
10 | HP10 | -12.88 | -18.45 | -13.69 | -16.67 |
11 | HP11 | -16.09 | -16.94 | -14.79 | -14.62 |
12 | HP12 | -16.31 | -15.09 | -13.55 | -15.68 |
13 | HP13 | -15.03 | -15.93 | -13.17 | -15.80 |
14 | HP14 | -16.08 | -16.77 | -11.93 | -13.84 |
15 | HP15 | -16.24 | -15.07 | -13.54 | -15.52 |