Biological Evaluation of Newly Synthesized Biaryl Guanidine Derivatives to Arrest β-Secretase Enzymatic Activity Involved in Alzheimer’s Disease

Table 2

Represents the pharmacokinetics and virtually obtained parameters of newly synthesized biaryl guanidine derivatives.

Code	(iLOGP) [26]	[27]	Pharmacokinetics		Drug likeness
			GI absorption	Glycoprotein substrate	Lipinski [28]	Ghose [29]	Veber [30]	Egan [30]	Muegge [30]	BA-score [28]
1	2.06	-3.35	High	Yes	Yes; 0 violation	Yes	Yes	Yes	Yes	0.55
2	3.25	-3.80	High	No	Yes; 0 violation	Yes	Yes	Yes	Yes	-5.77
3	1.26	-3.80	Low	No	Yes; 0 violation	Yes	Yes	Yes	Yes	0.55
4	1.64	-2.5	High	No	Yes; 0 violation	Yes	Yes	Yes	Yes	0.55
5	2.30	-4.09	High	Yes	Yes; 0 violation	Yes	Yes	Yes	Yes
6	2.65	-5.62	High	No	Yes; 1 violation:	No; 1 violation:	Yes	No; 1 violation:	No; 1 violation:	0.55
7	2.44	-5.32	High	Yes	Yes; 1 violation:	Yes	Yes	Yes	No; 1 violation:	0.55
8	2.33	-6.43	Low	No	Yes; 1 violation:	No; 2 violations: ,	Yes	No; 1 violation:	No; 2 violations: ,	0.55
9	1.76	-2.73	High	Yes	Yes; 0 violation	Yes	Yes	Yes	Yes	0.55
10	2.46	-4.85	High	Yes	Yes; 0 violation	Yes	Yes	Yes	Yes	0.55
11	2.47	-4.52	High	Yes	Yes; 0 violation	Yes	Yes	Yes	Yes	0.55
12	1.91	-3.35	High	Yes	Yes; 0 violation	Yes	Yes	Yes	Yes	0.55
13	1.95	-3.65	High	Yes	Yes; 1 violation:	Yes	Yes	Yes	Yes	0.55

The pharmacokinetics and all the virtually obtained parameters of biaryl guanidine base ligands under studies. BA: bioavailability; GI: gastrointestinal; GP: glycoprotein; HB: hydrogen bonding; Mol_Wt: molecular weight. iLOGP is the n-octanol/water partition coefficient, represents the experimental aqueous solubilities of the synthesized compounds, and similarly MLOGP (Moriguchi octanol-water partition coefficient) is the calculated partition coefficient of the ligands under studies.