2018 Student Research Conference:
31st Annual Student Research Conference

Computational Analysis of the Effect of Biflavinoid Inhibitor Drugs on Amyloid-β Plaque Disaggregation 

Dominic S. Mattock
Dr. Bill R. Miller, Faculty Mentor

Alzheimer's disease is the current leading form of dementia, constituting 60%-80% of dementia cases. Alzheimer's disease is a primarily late onset disease which worsens over time. A leading hypothesis is that the disease is due to aggregation of amyloid-β (Aβ) peptides resulting in the formation of plaques in the brain. A potential method of treatment for Alzheimer's consists of prevention and destabilization of Aβ amyloid-β fibrils using pharmacologically active molecules. Recently, a family of molecules called biflavanoids has been identified by Dr. Han at ATSU with potential to treat Alzheimer’s by preventing aggregation of Aβ peptides. In this study, Molecular Dynamics (MD), a computer-based method for simulating molecular interactions based on Newtonian physics, was utilized to simulate Aβ peptides under biological conditions in the presence of biflavanoid inhibitors to characterize key protein-drug interactions. The results from this study will be used to develop more potent biflavanoid inhibitors to treat Alzheimer’s.

Keywords: Alzheimer's Disease, Computational Chemistry, Amyloid Beta, Molecular Pharmacology


Presentation Type: Oral Paper

Session: 103-5
Location: MG 1096
Time: 9:00

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