32nd Annual Student Research Conference
Computational Investigation of Stilbenoids as Aggregation Inhibitors of Amyloid Beta in Alzheimer's Disease
Clara E. Wolf
Dr. Bill R. Miller, Faculty Mentor
Alzheimer’s Disease (AD) is currently causes 100,000 deaths each year in the U.S. AD is a neurodegenerative disease believed to be a result of build-ups of aggregates and tangles of proteins in the brain. There is currently no cure for AD. Some classes of molecules are believed to have therapeutic effects, including stilbenoids, a class of polyphenol compounds. A known protein associated with AD is Amyloid Beta (AB). AB forms from incorrectly spliced Amyloid Precursor Protein (APP), leading to aggregation of AB. Using computational chemistry methods, the aggregation of AB can be modeled with other molecules believed to potentially prevent aggregation. This project uses Molecular Dynamics to simulate different regions of the AB fibril to understand how these different regions aid in aggregation and how different stilbenoids affect this aggregation. The results with and without stilbenoids will be compared to track potential effects in stability and protein aggregation. The results of this study could suggest a novel stilbenoid to treat AD.
Keywords: Alzheimer's Disease, Biochemistry, Amyloid Beta, Protein Aggregation, Computational Chemistry, Drug Discovery
Topic(s):Chemistry
Biology
Presentation Type: Oral Paper
Session: 211-6
Location: MC 212
Time: 11:30