Article

Comparative Computational Docking Analysis of MPP+ and Dopamine Binding to Dopamine Transporter in Human and Zebrafish: Mechanistic Insights into MPTP Neurotoxicity

2025-02-14

Abstract excerpt

1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) induces parkinsonism via its toxic metabolite, 1-methyl-4-phenylpyridinium (MPP + ), which structurally mimics dopamine and enters dopaminergic neurons via the dopamine transporter (DAT). To visually depict this mimicry, we performed ligand-protein docking analysis on two species: humans and zebrafish. Human DAT (PDB ID: Q01959) and zebrafish DAT (UniProt ID: Q9...

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Literature Corpus work: 6a39ffd6-504a-575b-83f2-04963adf1c32
DOI: 10.1101/2025.02.12.637834

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