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. 2024 Mar 4;15:1344042. doi: 10.3389/fphar.2024.1344042

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.