Molecular Interplay of Small Molecules and Calcium Ions with α-Synuclein Revealed by NMR and Molecular Dynamics Simulations.

Filippo Turchi, Haydar Taylan Turan, Marco Schiavina, Giuseppe Brancato, Isabella C Felli, Roberta Pierattelli

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Article in ACS chemical neuroscience, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

6 authors.

Filippo TurchiDepartment of Chemistry "Ugo Schiff" and Magnetic Resonance Center (CERM), University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Italy.

Haydar Taylan TuranScuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy.

Marco SchiavinaDepartment of Chemistry "Ugo Schiff" and Magnetic Resonance Center (CERM), University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Italy.ORCID 0000-0001-8825-8900

Giuseppe BrancatoScuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy.ORCID 0000-0001-8059-2517

Isabella C FelliDepartment of Chemistry "Ugo Schiff" and Magnetic Resonance Center (CERM), University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Italy.ORCID 0000-0002-6018-9090

Roberta PierattelliDepartment of Chemistry "Ugo Schiff" and Magnetic Resonance Center (CERM), University of Florence, Via L. Sacconi 6, 50019 Sesto Fiorentino, Italy.ORCID 0000-0001-7755-0885

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Human α-synuclein is an intrinsically disordered protein concentrated at presynaptic terminals and strongly linked to Parkinson's disease and other synucleinopathies. Its dynamic C-terminal region mediates interactions with small molecules and metal ions. Here, we used high-resolution nuclear magnetic resonance spectroscopy (NMR) and molecular dynamics (MD) simulations to characterize interactions between the C-terminal α-synuclein construct, the small molecule fasudil, and calcium ions. NMR data show that fasudil and Ca

Indexed as

1-(5-Isoquinolinesulfonyl)-2-Methylpiperazinealpha-SynucleinCalciumHumansMagnetic Resonance SpectroscopyMolecular Dynamics SimulationProtein Binding1-(5-Isoquinolinesulfonyl)-2-Methylpiperazinealpha-SynucleinCalciumfasudil13C NMRAmino acids side chainDrug discoveryIntrinsically Disordered ProteinsProtein interactionsSynucleinopathies

Identifiers

PMID41874470

DOI10.1021/acschemneuro.6c00106

PMCPMC13088183

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