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. 2022 Dec 16;11(12):1834. doi: 10.3390/antibiotics11121834

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.