Computational screening of natural small molecules as dual ATXN3 and LC3 binders for an autophagy-based strategy in spinocerebellar ataxia type 3

Mediterranean Journal of Medical Research; Abdul M. Gbaj

doi:10.5281/zenodo.18945545

March 10, 2026Open Access

Computational screening of natural small molecules as dual ATXN3 and LC3 binders for an autophagy-based strategy in spinocerebellar ataxia type 3

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Key Points

This research aims to identify natural small molecules that can bind both ATXN3 and LC3 to enhance autophagy in SCA3.
Conducted molecular docking using Vina to assess binding of natural ligands to ATXN3 and LC3.
Evaluated pharmacokinetic properties of ligands with SwissADME to determine drug likeness and oral bioavailability.
Selected five natural ligands for analysis: quercetin, kaempferol, luteolin, rutin, and trehalose.
Quercetin, kaempferol, and luteolin showed strong binding to both ATXN3 and LC3 with favorable binding free energies.
Rutin and trehalose exhibited weaker binding to ATXN3 but strong binding to LC3 with poor oral bioavailability.
The study highlights compounds with potential for autophagy-based therapeutic strategies in SCA3.

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Implication

Computational screening identifies natural small molecules that enhance autophagic clearance in spinocerebellar ataxia type 3, suggesting potential therapeutic options.

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Cite This Study

Research et al. (2026) studied this question.

synapsesocial.com/papers/69b25afb96eeacc4fcec93f1 https://doi.org/10.5281/zenodo.18945545

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Computational screening of natural small molecules as dual ATXN3 and LC3 binders for an autophagy-based strategy in spinocerebellar ataxia type 3

Key Points

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Implication

Discussion

Cite This Study

Computational screening of natural small molecules as dual ATXN3 and LC3 binders for an autophagy-based strategy in spinocerebellar ataxia type 3

Key Points

No abstract yet

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Implication

Discussion

Cite This Study

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