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. 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
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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