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Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature
More than a billion people are infected with parasitic worms, including nematodes, such as hookworms, and flatworms, such as blood flukes. Few drugs are available to treat worm infections, but high-throughput screening approaches hold promise to identify novel drug candidates. One problem for resear...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
F1000 Research Limited
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9363976/ https://www.ncbi.nlm.nih.gov/pubmed/36003342 http://dx.doi.org/10.12688/wellcomeopenres.17987.1 |
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author | Coghlan, Avril Padalino, Gilda O'Boyle, Noel M. Hoffmann, Karl F. Berriman, Matthew |
author_facet | Coghlan, Avril Padalino, Gilda O'Boyle, Noel M. Hoffmann, Karl F. Berriman, Matthew |
author_sort | Coghlan, Avril |
collection | PubMed |
description | More than a billion people are infected with parasitic worms, including nematodes, such as hookworms, and flatworms, such as blood flukes. Few drugs are available to treat worm infections, but high-throughput screening approaches hold promise to identify novel drug candidates. One problem for researchers who find an interesting ‘hit’ from a high-throughput screen is to identify whether that compound, or a similar compound has previously been published as having anthelmintic or anti-parasitic activity. Here, we present (i) data sets of 2,828 anthelmintic compounds, and 1,269 specific anti-schistosomal compounds, manually curated from scientific papers and books, and (ii) a data set of 24,335 potential anthelmintic and anti-parasitic compounds identified by text-mining PubMed abstracts. We provide their structures in simplified molecular-input line-entry system (SMILES) format so that researchers can easily compare ‘hits’ from their screens to these anthelmintic compounds and anti-parasitic compounds and find previous literature on them to support/halt their progression in drug discovery pipelines. |
format | Online Article Text |
id | pubmed-9363976 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | F1000 Research Limited |
record_format | MEDLINE/PubMed |
spelling | pubmed-93639762022-08-23 Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature Coghlan, Avril Padalino, Gilda O'Boyle, Noel M. Hoffmann, Karl F. Berriman, Matthew Wellcome Open Res Data Note More than a billion people are infected with parasitic worms, including nematodes, such as hookworms, and flatworms, such as blood flukes. Few drugs are available to treat worm infections, but high-throughput screening approaches hold promise to identify novel drug candidates. One problem for researchers who find an interesting ‘hit’ from a high-throughput screen is to identify whether that compound, or a similar compound has previously been published as having anthelmintic or anti-parasitic activity. Here, we present (i) data sets of 2,828 anthelmintic compounds, and 1,269 specific anti-schistosomal compounds, manually curated from scientific papers and books, and (ii) a data set of 24,335 potential anthelmintic and anti-parasitic compounds identified by text-mining PubMed abstracts. We provide their structures in simplified molecular-input line-entry system (SMILES) format so that researchers can easily compare ‘hits’ from their screens to these anthelmintic compounds and anti-parasitic compounds and find previous literature on them to support/halt their progression in drug discovery pipelines. F1000 Research Limited 2022-07-19 /pmc/articles/PMC9363976/ /pubmed/36003342 http://dx.doi.org/10.12688/wellcomeopenres.17987.1 Text en Copyright: © 2022 Coghlan A et al. https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Data Note Coghlan, Avril Padalino, Gilda O'Boyle, Noel M. Hoffmann, Karl F. Berriman, Matthew Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature |
title | Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature |
title_full | Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature |
title_fullStr | Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature |
title_full_unstemmed | Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature |
title_short | Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature |
title_sort | identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature |
topic | Data Note |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9363976/ https://www.ncbi.nlm.nih.gov/pubmed/36003342 http://dx.doi.org/10.12688/wellcomeopenres.17987.1 |
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