2021 Student Research Conference:
34th Annual Student Research Conference

Computational Investigation of the Role of Polyphenol Drugs in the Disaggregation of Amyloid-Beta Plaques Associated with Alzheimer's Disease






Jonathan C. Bradfield
Dr. Bill R. Miller, Faculty Mentor

Alzheimer’s Disease (AD) is a neurodegenerative disorder that is the 5th leading cause of death in individuals aged 65 or older. One hypothesis to the origin of AD is the amyloid hypothesis, theorizing that neural degradation is caused by the aggregation of Amyloid-β (Aβ) plaques in the neural synapse. Polyphenols have shown to be promising inhibitors to the aggregation of Aβ, breaking down the secondary structure that stabilizes the Aβ aggregates. Computational modeling is used to determine the binding interactions between the polyphenol drug and Aβ (Molecular Docking) and then simulate the further unrestrained interactions between Aβ and the polyphenols (Molecular Dynamics). Simulations are then analyzed to determine the stability of the structure of Aβ and map the drug interactions that may contribute to the instability and breakdown of Aβ. From understanding the protein-drug interactions that destabilize Aβ, improved drugs can be tested for the treatment of AD.

Keywords: Biochemistry, Neuroscience, Drug Design, Computational , Chemistry

Topic(s):Biochemistry and Molecular Biology

Presentation Type: Asynchronous Virtual Oral Presentation

Session: 3-16
Location: https://flipgrid.com/f86d186b
Time: 0:00

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