A Network Pharmacology-Based Approach to Investigate the Novel TCM Formula against Huntington’s Disease and Validated by Support Vector Machine Model

Table 5

Docking score of several TCM compounds with CK2A2 protein and the Voting Score of each compounds based on the related terms ranking. The selecting model will be applied to other target proteins.

Compound name	DOCK SCORE	SVM		MLR		Consensus Score		Total Score
		pIC	Vote	pIC	Vote	CS	Vote
		50		50
Miraxanthin III	114.346	7.08	0	8.45	1	4	1	2
flazine	96.004	7.98	1	4.63	0	4	1	2
Typhic acid	97.811	7.08	0	5.01	0	7	1	1
7FC(control)	108.017	7.06	0	6.52	1	7	1	2
2,2′-[Benzene-1,4-diylbis	96.297	7.08	0	5.94	0	7	1	1
(methanediyloxybenzene-4
1-diyl)]bis(oxoacetic acid)
Tryptophan	96.459	7.42	1	5.94	0	1	0	1
Nodifloridin A	109.704	7.06	0	4.78	0	6	1	1
3-O-14,15-Eicosylenoyl-1-cyano-2-methyl-1,2-propene	101.287	7.08	0	4.36	0	5	1	1
Melandrin	102.897	6.21	0	6.14	1	3	0	1
dopamine	100.157	6.93	0	6.02	1	1	0	1
Fritillebeinol	97.4	7.16	0	5.96	1	1	0	1
Tryptamine	97.061	7.33	1	4.61	0	1	0	1
Evocarpine	99.54	7.63	1	4.23	0	1	0	1
(2S)-2-O-D-Glucopyranosyl-2-hydro-xyphenylacetic acid	98.628	7.34	1	3.80	0	1	0	1
5-Hydroxy-L-tryptophan	99.271	7.49	1	3.29	0	1	0	1
8-O-D-Glucopyranosyl-6-hydroxy	98.707	7.30	1	3.20	0	1	0	1
-2-methyl-4H-1-benzopyran-4-one
1,4-Epoxy-16-hydroxy-	104.582	6.53	0	3.82	0	3	0	0
heneicos-1,3,12,14-tetraene
Desmodianone E	100.083	6.19	0	2.62	0	2	0	0
Combretastatin D3	101.461	6.00	0	4.13	0	1	0	0
GoshuyuamideII	107.088	6.90	0	3.81	0	1	0	0

Selected compounds after screening