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Table 4 The molecular docking results of the hub genes with the components of ADI

From: Identification of key pharmacological components and targets for Aidi injection in the treatment of pancreatic cancer by UPLC-MS, network pharmacology, and in vivo experiments

No

Targets

PDB ID

Compounds

Affinity (kcal/mol)

1

TNF

1tnf

Calycosin-7-O-Î’-D-Glucoside

−10.2

2

P53

3q05

Astragaloside IV

−10.0

3

VEGFA

6zcd

Astragaloside IV

−8.6

4

TNF

1tnf

Ginsenoside-Rf

−8.5

5

CASP3

6zfl

Ginsenoside-Rb1

−8.5

6

MAPK14

5eti

Formononetin

−8.3

7

VEGFA

6zcd

Notoginsenoside-R4

−8.1

8

CASP3

6zfl

Formononetin

−8.0

9

VEGFA

6zcd

Isoastragaloside I

−8.0

10

VEGFA

6zcd

Acetylastragaloside I

−8.0

11

VEGFA

6zcd

Ginsenoside-Rb3

−7.9

12

VEGFA

6zcd

Ginsenoside-Rb2

−7.9

13

VEGFA

6zcd

Ginsenoside-Rg1

−7.7

14

VEGFA

6zcd

Ginsenoside-Rb1

−7.7

15

VEGFA

6zcd

Astragaloside II

−7.7

16

CASP3

6zfl

Chlorogenic Acid

−7.6

17

VEGFA

6zcd

Ginsenoside-Rf

−7.6

18

VEGFA

6zcd

Ginsenoside-Rc

−7.6

19

MAPK14

5eti

Ginsenoside-Rb1

−7.5

20

VEGFA

6zcd

Astragaloside I

−7.5

21

VEGFA

6zcd

Ginsenoside-Rd

−7.4

22

P53

3q05

Cantharidin

−7.1

23

VEGFA

6zcd

Ginsenoside-Re

−6.9

24

CASP3

6zfl

Cantharidin

−6.2

25

JUN

1s9k

Formononetin

−5.3