The Inhibition of the Amyloid-Beta Protein Using Polyphenol Drugs
Alzheimer’s Disease is a neurodegenerative disorder affecting nearly 7 million Americans, and that number increases yearly. A commonality among Alzheimer’s patients is the presence of amyloid plaques in the brain. These plaques contain high concentrations of amyloid beta peptides. These peptides aggregate in a double horseshoe arrangement which allows them to stabilize in the brain. Polyphenols appear to be inhibitors of this aggregation in its formation stages due to its hydrophobic and antioxidant properties. The current study uses computational chemistry methods (e.g. molecular docking, molecular dynamics, et) to investigate polyphenols as aggregation inhibitors at the atomic level. We investigated six different polyphenols (Pinosylvin, Purpurogallin, Exifone, Astringin, Calebin, and Gossypetin) and simulated them each at three different concentrations (ranging from 2-30mM) to 2000ns. Our results show a significant difference in protein stabilization which could have an impact on research of treatment of Alzheimer’s.
Keywords: Alzheimer's , Polyphenols, Computational Chemistry
Topic(s):Biochemistry and Molecular Biology
Chemistry
Biology
Presentation Type: Oral Presentation
Session: 108-2
Location: MG 1000
Time: 9:00