Literature DB >> 27073973

Modern approaches to accelerate discovery of new antischistosomal drugs.

Bruno Junior Neves1, Eugene Muratov2, Renato Beilner Machado3, Carolina Horta Andrade1, Pedro Vitor Lemos Cravo3,4.   

Abstract

INTRODUCTION: The almost exclusive use of only praziquantel for the treatment of schistosomiasis has raised concerns about the possible emergence of drug-resistant schistosomes. Consequently, there is an urgent need for new antischistosomal drugs. The identification of leads and the generation of high quality data are crucial steps in the early stages of schistosome drug discovery projects. AREAS COVERED: Herein, the authors focus on the current developments in antischistosomal lead discovery, specifically referring to the use of automated in vitro target-based and whole-organism screens and virtual screening of chemical databases. They highlight the strengths and pitfalls of each of the above-mentioned approaches, and suggest possible roadmaps towards the integration of several strategies, which may contribute for optimizing research outputs and led to more successful and cost-effective drug discovery endeavors. EXPERT OPINION: Increasing partnerships and access to funding for drug discovery have strengthened the battle against schistosomiasis in recent years. However, the authors believe this battle also includes innovative strategies to overcome scientific challenges. In this context, significant advances of in vitro screening as well as computer-aided drug discovery have contributed to increase the success rate and reduce the costs of drug discovery campaigns. Although some of these approaches were already used in current antischistosomal lead discovery pipelines, the integration of these strategies in a solid workflow should allow the production of new treatments for schistosomiasis in the near future.

Entities:  

Keywords:  Schistosomiasis; automated assays; computer-aided molecular design; data quality; drug discovery; perspectives; virtual screening

Mesh:

Substances:

Year:  2016        PMID: 27073973      PMCID: PMC6534417          DOI: 10.1080/17460441.2016.1178230

Source DB:  PubMed          Journal:  Expert Opin Drug Discov        ISSN: 1746-0441            Impact factor:   6.098


  94 in total

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6.  Identification of oxadiazoles as new drug leads for the control of schistosomiasis.

Authors:  Ahmed A Sayed; Anton Simeonov; Craig J Thomas; James Inglese; Christopher P Austin; David L Williams
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Authors:  Florence Dubois; Stéphanie Caby; Frédérik Oger; Céline Cosseau; Monique Capron; Christoph Grunau; Colette Dissous; Raymond J Pierce
Journal:  Mol Biochem Parasitol       Date:  2009-06-16       Impact factor: 1.759

8.  BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities.

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Journal:  Nucleic Acids Res       Date:  2006-12-01       Impact factor: 16.971

9.  Thioredoxin glutathione reductase from Schistosoma mansoni: an essential parasite enzyme and a key drug target.

Authors:  Angela N Kuntz; Elisabeth Davioud-Charvet; Ahmed A Sayed; Lindsay L Califf; Jean Dessolin; Elias S J Arnér; David L Williams
Journal:  PLoS Med       Date:  2007-06       Impact factor: 11.069

10.  Quantitative high-throughput screen identifies inhibitors of the Schistosoma mansoni redox cascade.

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Journal:  PLoS Negl Trop Dis       Date:  2008-01-02
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  3 in total

1.  Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening.

Authors:  Bruno J Neves; Rafael F Dantas; Mario R Senger; Cleber C Melo-Filho; Walter C G Valente; Ana C M de Almeida; João M Rezende-Neto; Elid F C Lima; Ross Paveley; Nicholas Furnham; Eugene Muratov; Lee Kamentsky; Anne E Carpenter; Rodolpho C Braga; Floriano P Silva-Junior; Carolina Horta Andrade
Journal:  J Med Chem       Date:  2016-07-22       Impact factor: 7.446

Review 2.  Chalcone Derivatives: Promising Starting Points for Drug Design.

Authors:  Marcelo N Gomes; Eugene N Muratov; Maristela Pereira; Josana C Peixoto; Lucimar P Rosseto; Pedro V L Cravo; Carolina H Andrade; Bruno J Neves
Journal:  Molecules       Date:  2017-07-25       Impact factor: 4.411

Review 3.  Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence.

Authors:  José T Moreira-Filho; Arthur C Silva; Rafael F Dantas; Barbara F Gomes; Lauro R Souza Neto; Jose Brandao-Neto; Raymond J Owens; Nicholas Furnham; Bruno J Neves; Floriano P Silva-Junior; Carolina H Andrade
Journal:  Front Immunol       Date:  2021-05-31       Impact factor: 7.561

  3 in total

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