36th Annual Student Research Conference
Computational Analysis of a Potential Inhibitor Affecting Amyloid Beta Aggregation Relevant to Alzheimer’s Disease
Charan Dyavanapalli*, Alex Platt, and Hannah C. Zimmerman
Dr. Bill R. Miller, Faculty Mentor
Alzheimer’s Disease (AD), a common form of dementia, is a neurodegenerative disorder that impairs cognitive functions and memory retention of brain tissue. Its symptoms can hinder the ability to perform daily activities. A chemically adhesive protein consisting of 42 amino acids called Amyloid β (Aβ) aggregates and aids the development of AD by forming plaques in the brain. This protein is stabilized by intermolecular interactions, such as hydrogen bonding and a rigid hydrophobic effect within the backbone atoms of peptides gathered in the brain. We aim to discover a polyphenol consisting of multiple aromatic carbon rings and hydroxyl groups that disrupts these interactions and prevents aggregation by utilizing modern computational chemistry techniques, such as molecular docking and molecular dynamic simulations. We hypothesize the polyphenols form hydrogen bonds with the Aβ backbone atoms and π-stack with aromatic amino acids in Aβ that are key to their role at affecting Aβ aggregation.
Keywords: Biochemistry, Alzheimer’s Disease, Computational chemistry
Topic(s):Biochemistry and Molecular Biology
Chemistry
Biology
Presentation Type: Oral Presentation
Session: 208-2
Location: MG 1000
Time: 10:30