Alzheimer’s Skin Diagnostic Platform: Non-Invasive Detection of Alzheimer’s Disease Using Fluorescent Aptamer Binding to Interleukin-1β as a Peripheral Biomarker

Abstract

Abstract: Alzheimer’s disease (AD) is a progressive and irreversible neurodegenerative disease that affects memory, thinking, and behavior. IL-1β is a type of protein called a cytokine, primarily produced by white blood cells like macrophages, that promotes inflammation in the body. In AD, IL-1β is linked to the condition because its buildup causes chronic neuroinflammation, which is a key factor in the disease’s progression. I hypothesize that an aptamer rationally designed to bind IL-1β at the P2Rank/COACH-D-predicted binding site will have a high docking score and stable interface features, enabling sensitive and specific AD biomarker detection. IL-1β protein modeling using AlphaFold 3 was performed to accurately predict its 3D structure for structural and binding analysis. IL-1β protein and aptamer docking using HDOCK software was conducted to simulate and evaluate the binding interactions between the modeled protein and designed aptamer. Docking analysis using the PLIP webserver was performed to identify and visualize specific molecular interactions, including hydrogen bonds, salt bridges, and π-stacking, between IL-1β and the aptamer. The docking analysis shows that aptamer M1 is the most appropriate candidate, as it binds strongly to the protein, forming 15 hydrogen bonds and 3 salt bridges. The current research will help develop a non-invasive diagnostic platform for early detection of Alzheimer’s disease using aptamer-based targeting of IL-1β.