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)

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