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Multivariate chemogenomic screening prioritizes new macrofilaricidal leads
Development of direct acting macrofilaricides for the treatment of human filariases is hampered by limitations in screening throughput imposed by the parasite life cycle. In vitro adult screens typically assess single phenotypes without prior enrichment for chemicals with antifilarial potential. We...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9839782/ https://www.ncbi.nlm.nih.gov/pubmed/36639423 http://dx.doi.org/10.1038/s42003-023-04435-8 |
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author | Wheeler, Nicolas J. Ryan, Kaetlyn T. Gallo, Kendra J. Henthorn, Clair R. Ericksen, Spencer S. Chan, John D. Zamanian, Mostafa |
author_facet | Wheeler, Nicolas J. Ryan, Kaetlyn T. Gallo, Kendra J. Henthorn, Clair R. Ericksen, Spencer S. Chan, John D. Zamanian, Mostafa |
author_sort | Wheeler, Nicolas J. |
collection | PubMed |
description | Development of direct acting macrofilaricides for the treatment of human filariases is hampered by limitations in screening throughput imposed by the parasite life cycle. In vitro adult screens typically assess single phenotypes without prior enrichment for chemicals with antifilarial potential. We developed a multivariate screen that identified dozens of compounds with submicromolar macrofilaricidal activity, achieving a hit rate of >50% by leveraging abundantly accessible microfilariae. Adult assays were multiplexed to thoroughly characterize compound activity across relevant parasite fitness traits, including neuromuscular control, fecundity, metabolism, and viability. Seventeen compounds from a diverse chemogenomic library elicited strong effects on at least one adult trait, with differential potency against microfilariae and adults. Our screen identified five compounds with high potency against adults but low potency or slow-acting microfilaricidal effects, at least one of which acts through a novel mechanism. We show that the use of microfilariae in a primary screen outperforms model nematode developmental assays and virtual screening of protein structures inferred with deep learning. These data provide new leads for drug development, and the high-content and multiplex assays set a new foundation for antifilarial discovery. |
format | Online Article Text |
id | pubmed-9839782 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-98397822023-01-15 Multivariate chemogenomic screening prioritizes new macrofilaricidal leads Wheeler, Nicolas J. Ryan, Kaetlyn T. Gallo, Kendra J. Henthorn, Clair R. Ericksen, Spencer S. Chan, John D. Zamanian, Mostafa Commun Biol Article Development of direct acting macrofilaricides for the treatment of human filariases is hampered by limitations in screening throughput imposed by the parasite life cycle. In vitro adult screens typically assess single phenotypes without prior enrichment for chemicals with antifilarial potential. We developed a multivariate screen that identified dozens of compounds with submicromolar macrofilaricidal activity, achieving a hit rate of >50% by leveraging abundantly accessible microfilariae. Adult assays were multiplexed to thoroughly characterize compound activity across relevant parasite fitness traits, including neuromuscular control, fecundity, metabolism, and viability. Seventeen compounds from a diverse chemogenomic library elicited strong effects on at least one adult trait, with differential potency against microfilariae and adults. Our screen identified five compounds with high potency against adults but low potency or slow-acting microfilaricidal effects, at least one of which acts through a novel mechanism. We show that the use of microfilariae in a primary screen outperforms model nematode developmental assays and virtual screening of protein structures inferred with deep learning. These data provide new leads for drug development, and the high-content and multiplex assays set a new foundation for antifilarial discovery. Nature Publishing Group UK 2023-01-13 /pmc/articles/PMC9839782/ /pubmed/36639423 http://dx.doi.org/10.1038/s42003-023-04435-8 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . |
spellingShingle | Article Wheeler, Nicolas J. Ryan, Kaetlyn T. Gallo, Kendra J. Henthorn, Clair R. Ericksen, Spencer S. Chan, John D. Zamanian, Mostafa Multivariate chemogenomic screening prioritizes new macrofilaricidal leads |
title | Multivariate chemogenomic screening prioritizes new macrofilaricidal leads |
title_full | Multivariate chemogenomic screening prioritizes new macrofilaricidal leads |
title_fullStr | Multivariate chemogenomic screening prioritizes new macrofilaricidal leads |
title_full_unstemmed | Multivariate chemogenomic screening prioritizes new macrofilaricidal leads |
title_short | Multivariate chemogenomic screening prioritizes new macrofilaricidal leads |
title_sort | multivariate chemogenomic screening prioritizes new macrofilaricidal leads |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9839782/ https://www.ncbi.nlm.nih.gov/pubmed/36639423 http://dx.doi.org/10.1038/s42003-023-04435-8 |
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