Bioassay-Guided Isolation of Antiplasmodial Compounds from Hypericum lanceolatum Lam. (Hypericaceae) and Their Cytotoxicity and Molecular Docking

Table 4

ADMET prediction results of isolated compounds of H. lanceolatum extract.

Absorption and distribution	1	2	3	4	Chloroquine
BBB (±)	++	+	+	—	+
GIA (±)	Good	Very good	Very poor	Very good	Good
Log S	–6.44	–4.9	–7.06	–4.94	-1.65
CYP450 2C19 inhibitor	No	No	No	No	No
CYP450 1A2 inhibitor	No	No	No	No	No
CYP450 3A4 inhibitor	No	No	No	No	No
CYP450 2C9 inhibitor	No	No	No	No	No
CYP450 2D6 inhibitor	No	No	No	No	No
Toxicity
AMES mutagenesis	No	No	No	No	No
Acute oral/toxicity rating	Low	Low	Low	Low	Low
hERG toxicity	None	None	None	None	None
Carcinogenicity	Very low	Very low	Very low	Very low	Very low
Lipinski violation?	No	No	No	Yes	Yes