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Table 1 Molecular docking affinity of rebamipide with NLRP3 inflammasome-associated proteins

From: Rebamipide (Mucosta®), a clinically approved drug, alleviates neuroinflammation and dopaminergic neurodegeneration in a Parkinson’s disease model

Compound

Target protein

Affinity (kcal/mol)

Rebamipide

NLRP3 and NEK7 complex [PDB: 6 NPY]

−10.5

NLRP3 and NEK7 complex [PDB: 8SXN]

−8.4

Full-length NLRP3 [Alphafold Model: AF-Q96P20-F1-v4]

−5.5

Full-length ASC [Alphafold Model: AF-Q9ULZ3-F1-v4]

−4.8

NALP3 PYD domain [PDB: 3QF2]

−4.8

ASC CARD domain [PDB: 5H8O] (chain A deletion)

−4.2