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Table 2 Information on molecular docking

From: Dissecting the mechanism of Yuzhi Zhixue granule on ovulatory dysfunctional uterine bleeding by network pharmacology and molecular docking

No

Proteins

PDB ID

Protein structure

Test compounds

Affinity (kcal/mol)

1

PTGS1

3N8W

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Arachidonic acid

( +)-catechin

Beta-sitosterol

Dinatin

Hinokinin

Isorhamnetin

Moslosooflavone

Pratensein

Rivularin

Salvigenin

SkullcapflavoneII

Xyloidone

− 5.3

− 7.7

− 10.6

− 8.8

− 9.5

− 9.5

− 8.5

− 9.2

− 8.4

− 8.6

− 8.1

− 8.8

2

PTGS2

5F19

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Arachidonic acid

SkullcapflavoneII

Salvigenin

Rivularin

Pratensein

Moslosooflavone

Isorhamnetin

Hinokinin

Dinatin

Beta-sitosterol

( +)-catechin

Xyloidone

− 5.7

− 9.4

− 9.2

− 9.5

− 9.4

− 9.5

− 9.3

− 9.8

− 9.6

− 9.4

− 9.2

− 9.1

3

ALOX5

3O8Y

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Arachidonic acid

− 5.1

4

CASP3

3GJR3GJR

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Luteolin

Arachidonic acid

− 7.4

− 6.2

5

F7

4EH8

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SkullcapflavoneII

Salvigenin

Rivularin

Isorhamnetin

− 7.8

− 8.0

− 8.0

− 8.4

6

F10

2GD4

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SkullcapflavoneII

Salvigenin

Rivularin

− 7.5

− 7.8

− 8.0

7

LTA4H

3B7S

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Xyloidone

− 8.5