Computational Approach towards Targeting Aggregate Formation in Synucleinopathies

Mohammad, Zeeshan Ansari Computational Approach towards Targeting Aggregate Formation in Synucleinopathies. MOJ Proteomics & Bioinformatics.

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Abstract

Many neurodegenerative diseases such as Parkinson’s disease and Alzheimer’s disease are result of synucleinopathies, where neuronal cells show proteinaceous aggregates primarily formed of alpha-synuclein. Understanding the initial steps is crucial toward developing therapeutic strategies to combat these maladies. Using computational approaches, we attempted to understand the initial steps of oligomerization process of SNCA. Using predicted docked models of SNCA dimers, we identified important residues involved in the interaction of the assembly. Using combinatorial library of peptides and docking studies, we found several peptides that have better binding energies than wild type SNCA monomers. These findings will be valuable in guiding rational therapeutic interventions towards major neurodegenerative disorders involving synucleinopathies.

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