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DAPTEV: Deep aptamer evolutionary modelling for COVID-19 drug design.


ABSTRACT: Typical drug discovery and development processes are costly, time consuming and often biased by expert opinion. Aptamers are short, single-stranded oligonucleotides (RNA/DNA) that bind to target proteins and other types of biomolecules. Compared with small-molecule drugs, aptamers can bind to their targets with high affinity (binding strength) and specificity (uniquely interacting with the target only). The conventional development process for aptamers utilizes a manual process known as Systematic Evolution of Ligands by Exponential Enrichment (SELEX), which is costly, slow, dependent on library choice and often produces aptamers that are not optimized. To address these challenges, in this research, we create an intelligent approach, named DAPTEV, for generating and evolving aptamer sequences to support aptamer-based drug discovery and development. Using the COVID-19 spike protein as a target, our computational results suggest that DAPTEV is able to produce structurally complex aptamers with strong binding affinities.

SUBMITTER: Andress C 

PROVIDER: S-EPMC10351721 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature

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DAPTEV: Deep aptamer evolutionary modelling for COVID-19 drug design.

Andress Cameron C   Kappel Kalli K   Villena Marcus Elbert ME   Cuperlovic-Culf Miroslava M   Yan Hongbin H   Li Yifeng Y  

PLoS computational biology 20230705 7


Typical drug discovery and development processes are costly, time consuming and often biased by expert opinion. Aptamers are short, single-stranded oligonucleotides (RNA/DNA) that bind to target proteins and other types of biomolecules. Compared with small-molecule drugs, aptamers can bind to their targets with high affinity (binding strength) and specificity (uniquely interacting with the target only). The conventional development process for aptamers utilizes a manual process known as Systemat  ...[more]

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