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. 2023 May 24;8(22):19351–19366. doi: 10.1021/acsomega.2c08304

Table 2. Results of the In Vitro Pim-1 Inhibition Assay and Docking Interaction Energy.

comp. no IC50 (μM),a Pim-1 inhibition docking interaction energy (kcal/mol), PDB ID: 2OBJ docking interaction energy (kcal/mol), PDB ID: 2O64
quercetagetin 0.56 ± 0.03 NTb –14.53
compound A 0.93 ± 0.05 –10.67 NTb
3a 0.90 ± 0.04 –11.68 –11.60
3b 0.85 ± 0.04 –11.57 –11.97
3c 0.79 ± 0.04 –11.16 –11.80
3d 0.72 ± 0.03 –11.37 –11.03
3e 2.31 ± 0.11 –11.48 –11.08
4a 1.24 ± 0.06 –11.71 –11.20
4b 0.63 ± 0.03 –11.64 –11.81
4c 0.61 ± 0.03 –12.01 –12.23
4d 0.46 ± 0.02 –12.04 –12.43
4e 1.42 ± 0.07 –11.58 –11.25
a

IC50 (μM): expressed as mean ± S.D.

b

NT: not tested.