Table 2.

Binding energies of molecular docking of chemical compounds of FAEW to proteins of the NF-κB pathway.

Ligand	IκK-NEMO		IκK		p65-Rel A
	Lowest binding energy (kcal/mol)	pKi (μM)	Lowest binding energy (kcal/mol)	pKi (μM)	Lowest binding energy (kcal/mol)	pKi (nM)
Baicalin	−3.79 ± 0.50	1690 ± 155.56	−5.97 ± 0.04	42.47 ± 2.43	−9.68 ± 0.09	79.88 ± 11.99
β-hydroxy-DHP	−5.04 ± 0.05	203.52 ± 18.09	−5.87 ± 0.18	52.24 ± 14.46	−8.54 ± 0.04	553.70 ± 33.52
Isoliquiritin	−3.59 ± 0.17	2390.00 ± 692.97	−7.04 ± 0.08	6.92 ± 0.98	−9.97 ± 0.22	61.00 ± 4.24
Isoliquiritin apioside	−1.20 ± 0.12	132.78 ± 28.65	−6.90 ± 0.15	9.00 ± 2.28	−10.10 ± 0.74	56.59 ± 8.56
Liquiritin	−4.12 ± 0.28	1155.00 ± 247.49	−6.10 ± 0.19	34.91 ± 11.08	−9.20 ± 0.04	180.31 ± 14.99
Ononin	−3.82 ± 0.02	1600.00 ± 70.71	−7.33 ± 0.01	4.24 ± 0.07	−11.55 ± 0.08	3.43 ± 0.50
Oroxyloside	−3.32 ± 0.08	3690.00 ± 551.54	−6.16 ± 0.04	30.84 ± 1.90	−9.41 ± 0.02	127.50 ± 4.95
Fluoxetine (R)	−4.35 ± 0.05	652.97 ± 54.98	−5.61 ± 0.06	77.65 ± 8.25	−7.35 ± 0.07	4093.33 ± 475.01
Fluoxetine (S)	−4.14 ± 0.05	928.59 ± 79.41	−5.90 ± 0.03	47.15 ± 2.48	−7.63 ± 0.03	2543.33 ± 123.42
Albiflorin	−5.05 ± 0.30	211.37 ± 52.00	−6.63 ± 0.16	14.23 ± 3.77	−10.66 ± 0.50	23.85 ± 3.12
Paeonflorin	−4.41 ± 0.04	591.13 ± 29.66	−7.83 ± 0.21	2.09 ± 0.27	−11.25 ± 0.03	5.45 ± 0.07
Pentagalloyl-β-D-glucose	−0.67 ± 0.01	320580.00 ± 150.00	−2.39 ± 0.49	19090.00 ± 3490.00	−6.09 ± 0.21	35.50 ± 1.27
MG-132	−3.50 ± 0.63	47053.00 ± 1090.00	−7.75 ± 0.35	2.31 ± 0.33	−9.07 ± 0.29	172.10 ± 27.01

IκK, IκB kinase; IκK, NEMO. NF-κB essential modulator; NF-κB, nuclear factor kappa; light, chain-enhancer of activated B cells.