Unraveling the Molecular Mechanisms of Fructus Anisi Stellati as a Remedy for Infantile Colic by Network Pharmacology

Table 4

The docking scores obtained by SystemsDock for the binding interactions between target proteins and key compounds.

No.	Protein name	PDB ID^a	Test compounds	Docking scores (pKd)^b
1	STAT1	1BF5	Luteolin	7.897
2	STAT1	1BF5	Kaempferol	7.875
3	STAT1	1BF5	Quercetin	7.810
4	IL1A	5UC6	Luteolin	7.696
5	IL1A	5UC6	Quercetin	7.576
6	IL1A	5UC6	Kaempferol	7.523
7	IL10	2ILK	Luteolin	7.311
8	ADCY2	1AB8	Kaempferol	7.057
9	ADCY2	1AB8	Luteolin	6.989
10	ADCY2	1AB8	Quercetin	6.982
11	IL10	2ILK	Kaempferol	6.779
12	IL10	2ILK	Quercetin	6.721
13	CCL2	1DOK	Kaempferol	6.690
14	IL6	1ALU	Quercetin	6.684
15	IFNG	6E3K	Quercetin	6.680
16	IFNG	6E3K	Kaempferol	6.678
17	IL2	5UTZ	Kaempferol	6.677
18	SI	3LPO	Kaempferol	6.672
19	IFNG	6E3K	Luteolin	6.670
20	IL1B	5MVZ	Quercetin	6.656
21	CD40LG	3LKJ	Luteolin	6.655
22	IL2	5UTZ	Quercetin	6.655
23	IL2	5UTZ	Luteolin	6.652
24	IL1B	5MVZ	Kaempferol	6.647
25	IL6	1ALU	Kaempferol	6.644
26	CCL2	1DOK	Quercetin	6.624
27	AKT1	3OCB	Quercetin	6.622
28	IL6	1ALU	Luteolin	6.622
29	CD40LG	3LKJ	Quercetin	6.610
30	IL1B	5MVZ	Luteolin	6.608
31	PRKCB	2I0E	Luteolin	6.607
32	CCL2	1DOK	Luteolin	6.599
33	AKT1	3OCB	Luteolin	6.530
34	CD40LG	3LKJ	Kaempferol	6.511
35	PRKCA	4RA4	Kaempferol	6.452
36	PRKCA	4RA4	Luteolin	6.442
37	AKT1	3OCB	Kaempferol	6.436
38	PRKCA	4RA4	Quercetin	6.416
39	SI	3LPO	Quercetin	6.415
40	SI	3LPO	Luteolin	6.397
41	PRKCB	2I0E	Quercetin	6.359
42	IL4	5FHX	Quercetin	6.301
43	IL4	5FHX	Luteolin	6.265
44	PRKCB	2I0E	Kaempferol	6.256
45	IL4	5FHX	Kaempferol	6.156
46	PRSS1	4WWY	Luteolin	6.044
47	PRSS1	4WWY	Kaempferol	5.939
48	PRSS1	4WWY	Quercetin	5.850

^aPDB ID, protein data bank identifier. ^bpK_d, the negative logarithm of dissociation constant.