Biomedical Engineering ETDs
Publication Date
Summer 7-12-2019
Abstract
Small, biologically active molecules with unique properties and applications are potential solutions to a wide range of threats to global health including infectious agents and neurodegenerative disease. Experimental studies on a class of oligomeric p-phenylene ethynylenes (OPEs) have shown potential both as bioactive antimicrobials and fluorescent sensing agents for tracking amyloid-β (Aβ) aggregates found in Alzheimer’s Disease (AD). A second type of small molecule with potential applications in AD therapy, curcumin, has been found to interfere with Aβ fibril growth. Curcumin also attenuates Aβ-membrane interactions and Aβ toxicity. Our goal has been to use computational techniques to better understand the interactions governing small molecule behavior when bound to capsid or fibrillar protein scaffolds. We focused on mechanistic details involved with the binding of these compounds. We have also used other modeling techniques to design adaptive devices to provide aid for those with limited mobility caused by AD and other diseases.
Language
English
Keywords
Alzheimer's disease, molecular dynamics, Curcumin, oligo p-phenylene ethynylene, biosensor, amyloid beta
Document Type
Dissertation
Degree Name
Biomedical Engineering
Level of Degree
Doctoral
Department Name
Biomedical Engineering
First Committee Member (Chair)
Deborah G. Evans
Second Committee Member
Eva Y. Chi
Third Committee Member
David G. Whitten
Fourth Committee Member
Sally C. Pias
Fifth Committee Member
Susan R. Atlas
Recommended Citation
Martin, Tye D.. "Computational Investigation of the Interactions Between Bioactive Compounds and Biological Assemblies." (2019). https://digitalrepository.unm.edu/bme_etds/27
Included in
Biological and Chemical Physics Commons, Biological Engineering Commons, Other Biomedical Engineering and Bioengineering Commons
Comments
6th Committee Member - Heather E. Canavan