Inhibitory and binding properties of the hits identified in the present study
Assay conditions are described under Materials and Methods. The results represent the average of triplicate measurements ± S.D.
| Hit | Residual CYP46A1 Activitya | Kdb | Ki | Indication or Use |
|---|---|---|---|---|
| % | μM | |||
| In silico prediction | ||||
| Bicalutamide | 35 ± 2.0 | 1.2 ± 0.05 | NM | Antineoplastic |
| Dexmedetomidine | 8.0 ± 0.3 | 0.02 ± 0.005 | 0.13 ± 0.01 | Analgesic, sedative |
| Epinephrine | 25 ± 2.0 | NSP | NM | Adrenergic stimulant |
| Estradiol | 32 ± 6.0 | NSP | NM | Steroid hormone |
| FLV (E-isomer) | 11 ± 0.2 | 0.7 ± 0.1 | 1.7 ± 0.3 | Antidepressant |
| Isoproterenol | 25 ± 2.0 | NSP | NM | Bronchodilator |
| Mitomycin | 41 ± 1.0 | NSP | NM | Antineoplastic |
| Testosterone | 49 ± 4.0 | NSP | NM | Steroid hormone |
| Intuitive predictions | ||||
| Albaconazole | 35 ± 3.0 | 2.5 ± 0.1 | NM | Antifungal |
| Ephedrine | 49 ± 2.0 | NSP | NM | Bronchodilator |
| Hexaconazole | 46 ± 3.0 | 0.4 ± 0.02 | NM | Antifungal |
| Posaconazole | 13 ± 1.2 | 0.3 ± 0.03 | NM | Antifungal |
| Ravuconazole | 50 ± 3.0 | 0.6 ± 0.02 | NM | Antifungal |