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Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature

Avril Coghlan Orcid Logo, Gilda Padalino Orcid Logo, Noel M. O'Boyle, Karl F. Hoffmann Orcid Logo, Matthew Berriman

Wellcome Open Research, Volume: 7, Start page: 193

Swansea University Author: Gilda Padalino Orcid Logo

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DOI (Published version): 10.12688/wellcomeopenres.17987.1

Abstract

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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Published in: Wellcome Open Research
ISSN: 2398-502X
Published: F1000 Research Ltd
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URI: https://cronfa.swan.ac.uk/Record/cronfa64430
first_indexed 2023-10-10T09:33:02Z
last_indexed 2024-11-25T14:14:01Z
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spelling 2023-10-10T10:34:58.6987124 v2 64430 2023-09-05 Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature 7e5526209f02734f57ba19b0d17604ec 0000-0001-8580-1293 Gilda Padalino Gilda Padalino true false 2023-09-05 MEDS 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. Journal Article Wellcome Open Research 7 193 F1000 Research Ltd 2398-502X Anthelmintic, drug, nematodes, flatworms, parasitic worms, compound, screen, anti-parasitic 0 0 0 0001-01-01 10.12688/wellcomeopenres.17987.1 http://dx.doi.org/10.12688/wellcomeopenres.17987.1 COLLEGE NANME Medical School COLLEGE CODE MEDS Swansea University This work was supported by Wellcome [107475, 206194 and 218448]. 2023-10-10T10:34:58.6987124 2023-09-05T16:07:47.1633600 Faculty of Medicine, Health and Life Sciences Swansea University Medical School - Pharmacy Avril Coghlan 0000-0002-2775-5951 1 Gilda Padalino 0000-0001-8580-1293 2 Noel M. O'Boyle 3 Karl F. Hoffmann 0000-0002-3932-5502 4 Matthew Berriman 5 64430__28750__478634f4a9b44e099c5e68aa8415310a.pdf 64430.VOR.pdf 2023-10-10T10:32:11.0224198 Output 2322666 application/pdf Version of Record true © 2022 Coghlan A et al. Distributed under the terms of a Creative Commons Attribution 4.0 License (CC BY 4.0). true eng https://creativecommons.org/licenses/by/4.0/
title Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature
spellingShingle Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature
Gilda Padalino
title_short 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_sort Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature
author_id_str_mv 7e5526209f02734f57ba19b0d17604ec
author_id_fullname_str_mv 7e5526209f02734f57ba19b0d17604ec_***_Gilda Padalino
author Gilda Padalino
author2 Avril Coghlan
Gilda Padalino
Noel M. O'Boyle
Karl F. Hoffmann
Matthew Berriman
format Journal article
container_title Wellcome Open Research
container_volume 7
container_start_page 193
institution Swansea University
issn 2398-502X
doi_str_mv 10.12688/wellcomeopenres.17987.1
publisher F1000 Research Ltd
college_str Faculty of Medicine, Health and Life Sciences
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hierarchy_top_id facultyofmedicinehealthandlifesciences
hierarchy_top_title Faculty of Medicine, Health and Life Sciences
hierarchy_parent_id facultyofmedicinehealthandlifesciences
hierarchy_parent_title Faculty of Medicine, Health and Life Sciences
department_str Swansea University Medical School - Pharmacy{{{_:::_}}}Faculty of Medicine, Health and Life Sciences{{{_:::_}}}Swansea University Medical School - Pharmacy
url http://dx.doi.org/10.12688/wellcomeopenres.17987.1
document_store_str 1
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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.
published_date 0001-01-01T05:15:28Z
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