32nd Annual Student Research Conference
Investigation of Amyloid β Biflavonoid Inhibitors in Alzheimer's Disease
Peter K. Windsor
Dr. Bill R. Miller, Faculty Mentor
The aggregation of Amyloid β peptides (Aβ) in the brain to form large protein fibrils is recognized as a causative event leading to Alzheimer’s Disease (AD). AD is characterized by memory loss and decreased cognitive function as a result of neurodegeneration. A class of polyphenolic molecules known as biflavonoids have traditionally been used as anti-inflammation drugs because of their ability to regulate proinflammatory gene expression. Recent in-vitro studies suggest biflavonoids can effectively inhibit aggregation and promote disaggregation of the neurotoxic Aβ fibrils. Characterizing the interactions on an atomic level between these molecules and the Aβ fibrils will expand the understanding of how these molecules disrupt fibril stability, and how these effects could be enhanced through structural modifications. Using AutoDock Vina and molecular dynamics (MD), eight biflavonoid structures were docked to the Aβ fibril and simulated for 1.5 μs.
Keywords: Alzheimer's Disease, Molecular Dynamics, Molecular Docking, Computational, Amyloid Beta, Biflavonoid
Topic(s):Biochemistry and Molecular Biology
Chemistry
Presentation Type: Oral Paper
Session: 311-3
Location: MC 212
Time: 2:00