Table 2.
Statistics for docking abiraterone and its analogs into CYP17A1 and CYP21A2
| Inhibitor | ΔGbind (kcal/mol) | |
|---|---|---|
| CYP17A1 | CYP21A2 | |
| Abiraterone (1b) | −42.6 | −11.9 |
| 8 | −43.8 | 11.4 |
| 7 | −42.6 | −1.1 |
| 6b | −46.6 | −6.4 |
| 12b | −48.0 | 2.4 |
| 10b | −46.6 | −4.3 |
| 13b | −49.0 | 8.5 |
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