Molecular Docking Analysis of Alpha-Synuclein Interactions with Adderall and Levodopa in Parkinson’s Disease

Alpha-synuclein (ɑ-syn) is a neuronal protein involved in synaptic function and neurotransmitter release. It is closely linked to neurodegenerative disorders such as Parkinson’s and Alzheimer’s disease due to its role in protein aggregation (Krawczuk et al.). The aggregation of ɑ-syn is considered a primary cause of nerve damage in these diseases (Srinivasan et al.).

Parkinson’s disease is characterized by dopamine deficiency, with common treatments often including the dopamine precursor, levodopa. Additionally, weak stimulants like caffeine have been investigated for their potential neuroprotective effects (Ikram et al.).

Our research employs molecular docking to examine the interactions between ɑ-syn with Adderall and levodopa. We evaluated their relative binding affinities to assess their potential impact on protein aggregation. Using AutoDock 1.5.7, we analyzed key intermolecular interactions, including inhibition constants, steric effects, and the top 10 strongest binding sites for each ligand. By comparing these interactions, our study aims to determine whether these compounds promote or inhibit ɑ-syn aggregation.

The findings from this research may offer deeper insights into how stimulants influence Parkinson’s treatment, potentially paving the way for more effective therapeutic strategies.