Impact of library input on the hit discovery rate in DNA-encoded chemical library selections

DNA-encoded chemical libraries (DELs) are powerful drug discovery tools, enabling the parallel screening of millions of DNA-barcoded compounds. We investigated how the DEL input affects the hit discovery rate in DEL screenings. Evaluation of selection fingerprints revealed that the use of approximat...

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Autores principales: Puglioli, Sara, Oehler, Sebastian, Prati, Luca, Scheuermann, Jörg, Bassi, Gabriele, Cazzamalli, Samuele, Neri, Dario, Favalli, Nicholas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10631129/
https://www.ncbi.nlm.nih.gov/pubmed/37969600
http://dx.doi.org/10.1039/d3sc03688j
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author Puglioli, Sara
Oehler, Sebastian
Prati, Luca
Scheuermann, Jörg
Bassi, Gabriele
Cazzamalli, Samuele
Neri, Dario
Favalli, Nicholas
author_facet Puglioli, Sara
Oehler, Sebastian
Prati, Luca
Scheuermann, Jörg
Bassi, Gabriele
Cazzamalli, Samuele
Neri, Dario
Favalli, Nicholas
author_sort Puglioli, Sara
collection PubMed
description DNA-encoded chemical libraries (DELs) are powerful drug discovery tools, enabling the parallel screening of millions of DNA-barcoded compounds. We investigated how the DEL input affects the hit discovery rate in DEL screenings. Evaluation of selection fingerprints revealed that the use of approximately 10(5) copies of each library member is required for the confident identification of nanomolar hits, using generally applicable methodologies.
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spelling pubmed-106311292023-11-15 Impact of library input on the hit discovery rate in DNA-encoded chemical library selections Puglioli, Sara Oehler, Sebastian Prati, Luca Scheuermann, Jörg Bassi, Gabriele Cazzamalli, Samuele Neri, Dario Favalli, Nicholas Chem Sci Chemistry DNA-encoded chemical libraries (DELs) are powerful drug discovery tools, enabling the parallel screening of millions of DNA-barcoded compounds. We investigated how the DEL input affects the hit discovery rate in DEL screenings. Evaluation of selection fingerprints revealed that the use of approximately 10(5) copies of each library member is required for the confident identification of nanomolar hits, using generally applicable methodologies. The Royal Society of Chemistry 2023-10-17 /pmc/articles/PMC10631129/ /pubmed/37969600 http://dx.doi.org/10.1039/d3sc03688j Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Puglioli, Sara
Oehler, Sebastian
Prati, Luca
Scheuermann, Jörg
Bassi, Gabriele
Cazzamalli, Samuele
Neri, Dario
Favalli, Nicholas
Impact of library input on the hit discovery rate in DNA-encoded chemical library selections
title Impact of library input on the hit discovery rate in DNA-encoded chemical library selections
title_full Impact of library input on the hit discovery rate in DNA-encoded chemical library selections
title_fullStr Impact of library input on the hit discovery rate in DNA-encoded chemical library selections
title_full_unstemmed Impact of library input on the hit discovery rate in DNA-encoded chemical library selections
title_short Impact of library input on the hit discovery rate in DNA-encoded chemical library selections
title_sort impact of library input on the hit discovery rate in dna-encoded chemical library selections
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10631129/
https://www.ncbi.nlm.nih.gov/pubmed/37969600
http://dx.doi.org/10.1039/d3sc03688j
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