Coghlan, Avril, Padalino, Gilda, O'Boyle, Noel M., Hoffmann, Karl F. and Berriman, Matthew
2022.
Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature.
Wellcome Open Research
7
, 193.
10.12688/wellcomeopenres.17987.1
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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.
Item Type: | Article |
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Date Type: | Published Online |
Status: | Published |
Schools: | Pharmacy |
Publisher: | Taylor and Francis |
ISSN: | 2398-502X |
Date of First Compliant Deposit: | 14 September 2022 |
Date of Acceptance: | 19 July 2022 |
Last Modified: | 23 May 2023 14:44 |
URI: | https://orca.cardiff.ac.uk/id/eprint/152548 |
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