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. 2024 Feb 1:99:117596.
doi: 10.1016/j.bmc.2024.117596. Epub 2024 Jan 11.

Design, synthesis and validation of a new Crimped Head-Piece for DNA-Encoded libraries generation

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Free article

Design, synthesis and validation of a new Crimped Head-Piece for DNA-Encoded libraries generation

Ramón Rama-Garda et al. Bioorg Med Chem. .
Free article

Abstract

Codification of DNA Encoded Libraries (DELs) is critical for successful ligand identification of molecules that bind a protein of interest (POI). There are different encoding strategies that permit, for instance, the customization of a DEL for testing single or dual pharmacophores (single strand DNA) or for producing and screening large diversity libraries of small molecules (double strand DNA). Both approaches challenges, either from the synthetic and encoding point of view, or from the selection methodology to be utilized for the screening. The Head-Piece contains the DNA sequence that is attached to a chemical compound, allowing the encoding of each molecule with a unique DNA tag. Designing the Head-Piece for a DNA-encoded library involves careful consideration of several key aspects including DNA barcode identity, sequence length and attachment chemistry. Here we describe a double stranded DNA versatile Head-Piece that can be used for the generation of single or dual pharmacophore libraries, but also shows other advanced DEL functionalities, stability and enlarged encoding capacity.

Keywords: DNA Encoded Libraries; Head-Piece; Library synthesis.

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Conflict of interest statement

Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

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