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

Coghlan, A., Padalino, G., O'Boyle, N. M., Hoffmann, K. F. and Berriman, M. (2022) Identification of anti-schistosomal, anthelmintic and anti-parasitic compounds curated and text-mined from the scientific literature. Wellcome Open Research, 7, 193. (doi: 10.12688/wellcomeopenres.17987.1) (PMID:36003342) (PMCID:PMC9363976)

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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:Articles
Additional Information:This work was supported by Wellcome [107475, https://doi.org/10.35802/107475 , 206194 https://doi.org/10.35802/206194 and 218448 https://doi.org/10.35802/218448].
Keywords:Parasitic worms, screen, anti-parasitic, drug, nematodes, anthelmintic, flatworms, compound.
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Berriman, Professor Matt
Creator Roles:
Berriman, M.Funding acquisition, Supervision, Writing – review and editing
Authors: Coghlan, A., Padalino, G., O'Boyle, N. M., Hoffmann, K. F., and Berriman, M.
College/School:College of Medical Veterinary and Life Sciences > School of Infection & Immunity
Journal Name:Wellcome Open Research
Publisher:F1000Research
ISSN:2398-502X
ISSN (Online):2398-502X
Copyright Holders:Copyright © 2022 Coghlan A et al.
First Published:First published in Wellcome Open Research 7: 193
Publisher Policy:Reproduced under a Creative Commons License

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