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AptamerRunner: An accessible aptamer structure prediction and clustering algorithm for visualization of selected aptamers
Journal article   Open access   Peer reviewed

AptamerRunner: An accessible aptamer structure prediction and clustering algorithm for visualization of selected aptamers

Dario Ruiz-Ciancio, Suresh Veeramani, Rahul Singh, Eric Embree, Chris Ortman, Kristina W. Thiel and William H. Thiel
Molecular therapy. Nucleic acids, Vol.35(4), 102358
12/2024
DOI: 10.1016/j.omtn.2024.102358
PMCID: PMC11539416
PMID: 39507401
url
https://doi.org/10.1016/j.omtn.2024.102358View
Published (Version of record) Open Access

Abstract

Aptamers are short single-stranded DNA or RNA molecules with high affinity and specificity for targets and are generated using the iterative Systematic Evolution of Ligands by EXponential enrichment (SELEX) process. Next-generation sequencing (NGS) revolutionized aptamer selections by allowing a more comprehensive analysis of SELEX-enriched aptamers as compared to Sanger sequencing. The current challenge with aptamer NGS datasets is identifying a diverse cohort of candidate aptamers with the highest likelihood of successful experimental validation. Herein we present AptamerRunner, an aptamer sequence and/or structure clustering algorithm that synergistically integrates computational analysis with visualization and expertise-directed decision making. The visual integration of networked aptamers with ranking data, such as fold enrichment or scoring algorithm results, represents a significant advancement over existing clustering tools by providing a natural context to depict groups of aptamers from which ranked or scored candidates can be chosen for experimental validation. The inherent flexibility, user-friendly design, and prospects for future enhancements with AptamerRunner has broad-reaching implications for aptamer researchers across a wide range of disciplines. [Display omitted] Thiel and colleagues highlight an aptamer clustering algorithm, AptamerRunner. AptamerRunner allows for efficient analysis and visualization of aptamers using advanced clustering techniques that incorporate sequence and structure relatedness. Integration of clustering results with ranking data provides a comprehensive interpretation clustering results, aiding in the identification of optimal aptamer candidates.

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