Nigella sativa Oil Improves Motor Skill Learning of Albino Mice: In Vivo and In Silico Investigations

Table 3

Pharmacokinetic profile and toxicity prediction of the selected compounds.

Parameter		Thymoquinone	Carvacrol	Thymohydroquinone	p-Cymene	t-Anethole
Absorption	Water solubility (log mol/L)	−1.594	−2.043	−2.007	−4.081	−2.936
	Caco-2 permeability (log Papp, cm/s)	1.344	1.52	1.066	1.527	1.669
	HIA (%)	98.531	91.806	91.659	93.544	95.592
	Bios (from SwissADME) (bioavailabilty score)	0.55	0.55	0.55	0.55	0.55
	Skin permeability (logKp cm/s)	−2.533	−1.644	−2.949	−1.192	−1.139
Distribution	VDss (human) (logL/kg)	−0.034	0.451	0.33	0.697	0.343
	BBB permeability (logBB)	0.372	0.383	0.339	0.478	0.529
	BBB permeability (SwissADME)	Yes	Yes	Yes	Yes	Yes
Metabolism	CYP2D6 substrate	No	No	No	No	No
	CYP3A4 substrate	No	No	No	No	No
	CYP1A2 inhibitor	No	Yes	Yes	Yes	Yes
	CYP2C19 inhibitor	No	No	No	No	No
	CYP 2C9 inhibitor	No	No	No	No	No
	CYP 2D6 inhibitor	No	No	No	No	No
	CYP 3A4 inhibitor	No	No	No	No	No
Excretion	Total clearance	0.225	0.207	0.28	0.239	0.268
	Renal OCT2 substrate	No	No	No	No	No
Toxicity assays	Ames toxicity	No	No	No	No	No
	Oral rat acute toxicity (LD50, in mol/kg)	1.68	2.251	2.201	1.827	1.798