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Table 4 Molecular docking results

From: Weipiling decoction alleviates N-methyl-N-nitro-N′-nitrosoguanidine-induced gastric precancerous lesions via NF-κB signalling pathway inhibition

Chem

GENE

PDB

Best affinity

Calycosin-7-O-β-d-glucoside

MAPK3

4qtb

− 9.1

Astragaloside IV

JUN

1s9k

− 8.7

Notoginsenoside R1

JUN

1s9k

− 8.2

Notoginsenoside R1

NOS2

3e7g

− 8.2

Astragaloside IV

TNF

2az5

− 8.2

Notoginsenoside R1

TNF

2az5

− 8

Calycosin-7-O-β-d-glucoside

NOS2

3e7g

− 7.9

Astragaloside IV

MAPK3

4qtb

− 7.7

Astragaloside IV

NOS2

3e7g

− 7.7

Calycosin-7-O-β-d-glucoside

JUN

1s9k

− 7.5

Notoginsenoside R1

BCL2

2w3l

− 7.2

Notoginsenoside R1

TP53

3q05

− 7.1

Quinquefolan B

MAPK3

4qtb

− 7.1

Calycosin-7-O-β-d-glucoside

CASP3

1gfw

− 7.1

Astragaloside IV

CASP3

1gfw

− 7.1

Quinquefolan B

NOS2

3e7g

− 6.9

Calycosin-7-O-β-d-glucoside

TP53

3q05

− 6.9

Quinquefolan B

TNF

2az5

− 6.8

Astragaloside IV

TP53

3q05

− 6.7

Astragaloside IV

BCL2

2w3l

− 6.7

Notoginsenoside R1

CASP3

1gfw

− 6.6

Calycosin-7-O-β-d-glucoside

TNF

2az5

− 6.6

Quinquefolan B

JUN

1s9k

− 6.4

Calycosin-7-O-β-d-glucoside

BCL2

2w3l

− 6.3

Quinquefolan B

CASP3

1gfw

− 6.1

Notoginsenoside R1

MAPK3

4qtb

− 6

Quinquefolan B

TP53

3q05

− 5.4