Table 5.
Free binding energies and inhibition constants between fourteen compounds identified in Vismia guianensis extract and CaCYP51, obtained through molecular docking.
| Ligand | ΔGbind (kcal/mol) * | Ki (μM) ** |
|---|---|---|
| Vismione D | −10.96 | 0.009 |
| Anthraquinone F | −7.92 | 1.56 |
| Catechin | −6.97 | 7.79 |
| Kaempferol | −6.70 | 12.35 |
| Quercetin | −5.60 | 20.98 |
| Posaconazole | −8.43 | 0.57 |
| Fluconazole | −6.89 | 11.61 |
(*) Bind free energy; (**) inhibition constant.