Accelerated aptamer selection <i>via</i> SELEX and molecular simulations for lipopolysaccharide detection.

ABSTRACT: Lipopolysaccharides (LPS), the major components of Gram-negative bacterial outer membranes, are critical virulence factors that can trigger severe immune responses, leading to sepsis and other inflammatory diseases. Rapid and accurate LPS detection is therefore essential in clinical diagnosis, pharmaceutical safety, and food monitoring. Aptamers represent a promising alternative to antibodies due to their high specificity, stability, and cost-effectiveness. However, the conventional SELEX process for aptamer selection is labor-intensive and time-consuming, often generating numerous candidates requiring costly experimental validation. Herein, we present a computationally assisted post-SELEX refinement pipeline that integrates molecular docking and molecular dynamics simulations to efficient

SUBMITTER: Thi Tran TD 

PROVIDER: S-EPMC12658737 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature