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Table 2 Binding abilities between drug components of Angelica dahurica and target proteins

From: Ammidin ameliorates myocardial hypoxia/reoxygenation injury by inhibiting the ACSL4/AMPK/mTOR-mediated ferroptosis pathway

Protein

PDBID

Ligand

Binding Affinity

AMPK

6C9H

Ammidin

−8.6

AMPK

6C9H

Mandenol

−5.7

AMPK

6C9H

Alloisoimperatorin

−8.5

mTOR

4DRI

Ammidin

−9.2

mTOR

4DRI

Mandenol

−6.7

mTOR

4DRI

Alloisoimperatorin

−8.9

ACSL4

AlphaFold2

Ammidin

−7.7

ACSL4

AlphaFold2

Mandenol

−5.7

ACSL4

AlphaFold2

Alloisoimperatorin

−8.2

  1. Note: The absolute value of > 4.25 indicated certain binding activity, that of > 5.0 good binding activity and that of > 7.0 a strong binding activity