37th Annual Student Research Conference
Computational Analysis of Polyphenols as a Potential Treatment for Alzheimer’s Disease by Disaggregation of Amyloid-Beta Plaques
Sarah E. Harris
Dr. Bill R. Miller, Faculty Mentor
Alzheimer’s disease (AD) is a neurodegenerative disease that causes permanent memory loss and cognitive issues. The leading hypothesis on the cause of AD is that the abnormal aggregation of amyloid beta (Aβ) plaques results in neuronal death. There is currently no cure for AD; by studying potential drugs that may disaggregate Aβ plaques we may find a treatment. This project investigates the interaction between polyphenols and Aβ 1-42 which is one of the most common forms. Using molecular docking we can explore the initial binding of a polyphenol with an aggregate. Molecular dynamics allows for further investigation of how the polyphenol interacts with the protein over 2000 ns. Following the simulation, we can analyze structural changes in the aggregate using secondary structure and backbone hydrogen bond graphs. These methods may allow for the discovery of a new treatment for AD that is more effective than the current drugs available.
Keywords: Alzheimer's Disease, Polyphenols, Amyloid Beta, Computational Chemistry
Topic(s):Biochemistry and Molecular Biology
Chemistry
Presentation Type: Oral Presentation
Session: 306-4
Location: MG 2001
Time: 1:30