Toxicological Evaluation and In Silico Identification of Acetylcholinesterase Inhibitors in a Commercial Polyherbal Formulation (KWAPF01)

Table 5

Selected physicochemical and pharmacokinetic profiles of KWAPF01 secondary metabolites.

Molecules	iLOGP	GI absorption	BBB permeant	P-gp substrate	Cytochrome isoform inhibition	Bioavailability score
Donepezil	3.92	High	Yes	Yes	CYP2D6, CYP3A4	0.55
Apigenin	1.89	High	No	No	CYP1A2, CYP2D6, CYP3A4	0.55
Arjungenin	2.71	High	No	Yes	Nil	0.56
Berberine	0	High	Yes	Yes	CYP1A2, CYP2D6, CYP3A4	0.55
Catechol	1.13	High	Yes	No	CYP3A4	0.55
Chrysin	2.27	High	Yes	No	CYP1A2, CYP2D6, CYP3A4	0.55
Cryptolepine	2.46	High	Yes	Yes	CYP1A2, CYP2C19, CYP2D6, CYP3A4	0.55
Friedelin	4.55	Low	No	No	Nil	0.55
Galangin	2.08	High	No	No	CYP1A2, CYP2D6, CYP3A4	0.55
Nicotine	2.14	High	Yes	No	Nil	0.55
Terminalin-A	4.86	Low	No	No	Nil	0.55
11-Methoxy-10H-quindoline	2.46	High	Yes	Yes	CYP1A2, CYP2C19, CYP2D6, CYP3A4	0.55

GI: gastrointestinal; BBB: blood-brain barrier; P-gp: P-glycoprotein; iLOGP: octanol-water partition coefficient.