Insight into antioxidant-like activity and computational exploration of identified bioactive compounds in Talinum triangulare (Jacq.) aqueous extract as potential cholinesterase inhibitors

Table 4 ADMET/ADME properties of bioctive lead compounds from the aqueous extract of Talinum triangulare leave (AETt)

Compounds	Absorption				Distribution			Metabolism		Excretion	Toxicity
Compounds	Caco-2-Perm	Pgp-inhibitor	Pgp-substrate	HIA	PPB (%)	VD	BBB-Penetration	Inhibitor	Substrate	CL	hERG-Blockers	H-HT	Carcin
Rutin	-6.47	0.005	0.997	0.876	87.1	0.701	0.041	CYP3A4, CYP1A2, CYP2C19, CYP2D6, CYP2C9	CYP2C9, CYP1A2, CYP2C1,9, CYP3A4, CYP2D6,	1.50	0.227	0.083	0.055
Quercetin	-5.20	< 0.100	< 0.100	< 0.100	95.5	0.580	< 0.100	CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4	CYP1A2, CYP2C9, CYP2C19, CYP2D6, CYP3A4	8.28	< 0.100	< 0.100	< 0.100

Key: Caco-2 Human colon adenocarcinoma cell lines, Pgp P-glycoprotein, inhibitor or substrate, HIA human intestinal absorption, PPB Plasma protein binding, VD Volume of distribution, BBB-Penetration blood–brain barrier penetration, CYP Cytochrome, CL Clearance, hERG Blockers, H-HT Human hepatotoxicity, Carcin Carcinogencity

ISSN: 2662-7671