Isolation, Crystal Structure, and In Silico Aromatase Inhibition Activity of Ergosta-5, 22-dien-3β-ol from the Fungus Gyromitra esculenta

Table 5

Predicted ADMET for the brassicasterol and reference drug.

Comp.	BBB level^a	Solubility level^b	Absorption level^c	CYP2D6 prediction^d	PPB prediction^e
1	4	1	3	False	True
Cocrystallized ligand	1	2	0	False	True

^aBBB level, blood-brain barrier level, 0 = very high, 1 = high, 2 = medium, 3 = low, 4 = very low. ^bSolubility level, 1 = very low, 2 = low, 3 = good, 4 = optimal. ^cAbsorption level, 0 = good, 1 = moderate, 2 = poor, 3 = very poor. ^dCYP2D6, cytochrome P2D6, TRUE = inhibitor, FALSE = noninhibitor. ^ePBB, plasma protein binding, FALSE means less than 90%, TRUE means more than 90%.