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Table 4 Results of molecular docking between core components and targets

From: Integrated strategy of network analysis prediction and experimental validation to elucidate the possible mechanism of compound Turkish gall ointment in treating eczema

Traditional Chinese medicine

MolId

MolName

Target

PDB

Affinity (kcal/mol)

Center

Size

x

y

z

x

y

z

Turkish gall

MOL000513

Gallic

acid

TNF

6RMJ

 − 6.8

 − 1.641

65.631

127.508

40

40

40

IL1β

5I1B

 − 5.2

11.308

13.79

2.447

62

40

40

TLR4

2Z66

 − 6.8

 − 25.107

 − 20.278

27.945

46

60

126

Alb

1AO6

 − 6.1

28.423

8.392

23.263

40

46

46

Turkish gall

MOL001002

Ellagic acid

TNF

6RMJ

 − 9.1

 − 1.641

65.631

127.508

40

40

40

IL1β

5I1B

 − 7.0

11.308

13.79

2.447

62

40

40

TLR4

2Z66

 − 8.7

 − 25.107

 − 20.278

27.945

46

60

126

Alb

1AO6

 − 8.5

28.423

8.392

23.263

40

46

46

Comfrey

C016101

Shikonin

TNF

6RMJ

 − 7.8

 − 1.641

65.631

127.508

40

40

40

IL1β

5I1B

 − 7.1

11.308

13.79

2.447

62

40

40

TLR4

2Z66

 − 8.9

 − 25.107

 − 20.278

27.945

46

60

126

Alb

1AO6

 − 8.5

28.423

8.392

23.263

40

46

46