TABLE 3.
Docking studies of tested compounds.
| Entry | Compound | E Isomer | Z Isomer | ||
|---|---|---|---|---|---|
| gScore (kcal/mol) | geMode (kcal/mol) | gScore (kcal/mol) | geMode (kcal/mol) | ||
| 1 | 1 | −3.685 | −27.533 | −3.227 | −26.279 |
| 2 | 2 | 1.113 | −31.899 | −3.102 | −31.099 |
| 3 | 3 | −4.064 | −41.695 | −5.415 | −38.099 |
| 4 | 4 | −4.110 | −41.695 | −5.484 | −43.077 |
| 5 | 5 | −4.872 | −37.238 | −4.712 | −37.384 |
| 6 | 6 | −5.922 | −40.470 | −5.459 | −41.437 |
| 7 | 7 | −5.920 | −40.470 | −5.866 | −41.968 |
| 8 | 8 | −5.176 | −36.886 | −4.572 | −35.867 |
| 9 | 9 | −5.564 | −39.392 | −5.492 | −36.957 |
| 10 | 10 | −4.357 | −38.398 | −4.039 | −32.436 |
| 11 | 11 | −5.878 | −49.124 | −7.247 | −51.923 |
| 12 | 12 | −7.733 | −66.097 | −6.844 | −52.137 |
| 13 | COL | −7.578 gScore (kcal/mol) | −57.983 geMode (kcal/mol) | ||
COL, colchicine. Bold values are numbers of synthesized compounds.