Quassia amara bioactive compounds as a Novel DPP-IV inhibitor: an in-silico study

Bulletin of the National Research Centre

Table 4 The bio-availability, pharmacokinetic properties and Cytochrome P450 metabolizing enzymes inhibitory potentials of selected Quassia amara phytochemical constituent

Models	Vitexin	Quassimarin	Simalikalactone D	Brucein D	Quassinol
Blood Brain Barrier	BBB-	BBB-	BBB-	BBB-	BBB-
Bioavaliability Score	0.55	0.17	0.55	0.55	0.55
CYP1A2 inhibition	Non-inhibitor	Non-inhibitor	Non-inhibitor	Non-inhibitor	Non-Inhibitor
CYP2C19 inhibition	Non-inhibitor	Non-inhibitor	Non-inhibitor	Non-inhibitor	Non-Inhibitor
CYP2C9 inhibition	Non-inhibitor	Non-inhibitor	Non-inhibitor	Non-inhibitor	Non-Inhibitor
CYP2D6 inhibition	Non-inhibitor	Non-inhibitor	Non-inhibitor	Non-inhibitor	Non-inhibitor
CYP3A4 inhibition	Non-inhibitor	Non-inhibitor	Non-inhibitor	Non-inhibitor	Inhibitor
GI Absorption	Low	Low	High	Low	High
P-glycoprotein substrate	Non-Substrate	Substrate	Substrate	Substrate	Substrate
LD50	832 mg/kg	10 mg/kg	10 mg/kg	10 mg/kg	19 mg/kg
Toxicity class	4	2	2	2	2
Carcinogenicity	Non carcinogenic	Non carcinogenic	Non carcinogenic	Non carcinogenic	Non carcinogenic
Mutagenicity	Active	Inactive	Inactive	Inactive	Inactive
Cytotoxicity	Inactive	Active	Active	Active	Inactive