Lead Discovery for Alzheimer’s Disease Related Target Protein RbAp48 from Traditional Chinese Medicine

Table 1

Top ten candidates and control.

Name	-PMF	-PMF04	Dock score	Absorption^a	BBB level^b	CYP2D6^c	Solubility^d
Bittersweet alkaloid II	48.19	36.70	98.838	0	2	0	3
Eicosandioic acid	48.52	20.37	97.934	0	2	0	3
Perivine	30.39	23.90	95.328	0	2	0	3
Docosandioic acid	34.37	17.84	95.194	0	1	0	3
N-Methylmescaline	33.25	30.41	93.733	0	2	0	4
Isolobelanine	38.74	22.15	93.190	0	1	0	3
5-Methoxy-N-methyltryptamine	24.72	22.30	89.676	0	2	0	4
Vincamine	31.63	28.02	89.338	0	2	0	3
Quininone	35.22	26.12	88.540	0	2	0	3
FOG1*	4.65	14.08	67.647	1	4	0	5

∗Control.
^aAbsorption: good absorption: 0; moderate absorption: 1; low absorption: 2.
^bBBB level (blood brain barrier): high penetration: 1; medium penetration: 2; low penetration: 3; undefined penetration: 4.
^cCYP2D6: noninhibitor < 0.5; inhibitor > 0.5.
^dSolubility: −6.0 < value < −4.0 indicates low drug-likeness compounds; −4.0 < value < −2.0 indicates good drug-likeness compounds; −2.0 < value = 0.0 indicates optimal drug-likeness compounds; 0.0 < value indicates being too soluble and with no drug-likeness.