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Total binding free energies of the compounds with the targets, ER-α, and PGK1 calculated through MM-GBSA method. The values in parenthesis is the standard error of the mean (SEM).
| Compounds | Target: ER-α (kcal/mol) | Target: PGK1 (kcal/mol) |
|---|---|---|
| 4-hydroxytamoxifen (control) | −37.72 (0.04) | - |
| Illicicolin-H (control) | - | −17.74 (0.05) |
| 7b | −19.82 (0.03) | −24.28 (0.05) |
| 7c | −31.02 (0.04) | −12.17 (0.16) |
