Programme

P.3 -- Posters, VCTP-50

Date: Tuesday, 5 August 2025

Time: 08:30 - 10:00

Molecular Simulation-Assisted Aptamer Selection for Lipopolysaccharide Detection and Development of a Simple Electrochemical Aptasensor

Nguyen Hai Ly, Phuong H. Nguyen and Nguyen The Toan

1 Institute of Theoretical and Applied Research, Duy Tan University, Hanoi, 100000, Vietnam 2 Faculty of Natural Sciences, Duy Tan University, Da Nang, 550000, Vietnam CNRS, UPR9080, Université de Paris, Laboratory of Theoretical Biochemistry, IBPC, Fondation Edmond de Rothschild, PSL Research University, Paris 75005, France 4 Key Laboratory for Multiscale Simulation of Complex Systems, University of Science, Vietnam National University – Hanoi, Hanoi, Vietnam.

Lipopolysaccharides (LPS), key components of the outer membrane of Gram-negative bacteria, play a crucial role in bacterial pathogenicity and can trigger severe immune responses, leading to sepsis, endotoxic shock, and other inflammatory diseases. Rapid and accurate LPS detection is essential for diagnosing bacterial infections, monitoring pharmaceutical contamination, and ensuring food safety. Aptamer-based detection offers a promising alternative to traditional methods, providing enhanced sensitivity, specificity, and cost-effectiveness. Recent advances in molecular simulations have further improved aptamer selection by complementing the conventional Systematic Evolution of Ligands by Exponential Enrichment (SELEX) process, allowing for the identification of aptamers with high binding affinity and specificity. In this study, we combined conventional aptamer selection with computational studies to generate a single-stranded DNA (ssDNA) aptamer with high affinity and selectivity for LPS detection. To translate this aptamer into a practical sensing platform, we developed a simple electrochemical biosensor utilizing a biotin-labeled aptamer as the detection probe. Our results demonstrated that this aptamer-based biosensor provides a rapid, highly sensitive, and cost-effective method for LPS detection, making it a promising tool for real-time endotoxin monitoring in biomedical and environmental applications.

Presenter: Nguyen Hai Ly