Investigation of Stilbenoids on the Disaggregation of the Amyloid β Protein for Alzheimer’s Disease
Alzheimer’s Disease (AD) is a neurodegenerative disease that results in the degradation of the brain and is a leading cause of death. The Amyloid β hypothesis for AD proposes that the Amyloid β protein (Aβ) can aggregate to form plaques in the brain. The Aβ protein is a 42 amino acid peptide that is mainly stabilized by hydrogen bonding and other intermolecular interactions in a beta-sheet conformation. This project is examining residues 1-40 along with the fluorescent dye Thioflavin T (ThT) to study Aβ and provide comparison with an experimental lab. Diethylstilbestrol (DES) and Resveratrol (RSV) are polyphenol drugs that are being investigated as potential inhibitors of the Aβ plaques. Computational techniques such as molecular docking and molecular dynamics (MD) simulations were used to model protein-drug interactions. Structural and energetic analysis were performed to analyze the drug and protein interactions. DES shows promise as a potential AD inhibitor in silico.
Keywords: Alzheimer's Disease, Molecular Dynamics, Secondary Structure, Molecular Docking, Amyloid Beta, Computational, Biochemistry
Topic(s):Biochemistry and Molecular Biology
Presentation Type: Oral Presentation
Session: 205-6
Location: MG 2001
Time: 11:30