Pharmacological Characteristics of the Hydroethanolic Extract of Acmella oleracea (L) R. K. Jansen Flowers: ADME/Tox In Silico and In Vivo Antihypertensive and Chronic Toxicity Evaluation

Table 4

Prediction of pharmacokinetics parameters of spilanthol, D-limonene, and scopoletin found in the hydroethanolic extract of flowers of A. oleracea.

Compounds	Mutagenicity	Carcinogenicity	hERG	HIA (%)	Caco-2(nm/s)	Distribution PPB (%)	P-GP	BBB Cbrain/Cblood (Cbrain/Cblood)	CYP450	Excretion PMDCK (nm/s)
Spilanthol	Mutagen	Mouse positive	Medium risk	9.723.631	49.321	9.952.837	Inhibitor	668.585	Non	557.533
		Rat positive
D-limonene	Mutagen	Mouse negative	Medium risk	100	23.631	100	Inhibitor	827.823	Non	238.434
		Rat positive
Scopoletin	Mutagen	Mouse negative	Low risk	9.392.356	0.27754	2.941.838	Non	0.644081	Non	674.595
		Rat positive

Values obtained by PREADMET. Human ether-a-go-go related gene channel inhibition (hERG), human intestinal absorption (HIA), cell penetrability in vitro using the Caco-2 cell model, plasma protein binding (PPB (%), interaction with P-glycoprotein (P-GP), brain-blood partition coefficient BBB (Cbrain/Cblood), CYP450, and Madin-Darby canine kidney cells PMDCK (nm/sec).