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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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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
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa64430
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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 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.
Keywords: Anthelmintic, drug, nematodes, flatworms, parasitic worms, compound, screen, anti-parasitic
College: Faculty of Medicine, Health and Life Sciences
Funders: This work was supported by Wellcome [107475, 206194 and 218448].
Start Page: 193