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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...

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Detalles Bibliográficos
Autores principales: Coghlan, Avril, Padalino, Gilda, O'Boyle, Noel M., Hoffmann, Karl F., Berriman, Matthew
Formato: Online Artículo Texto
Lenguaje:English
Publicado: F1000 Research Limited 2022
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.
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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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