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SCHISTOSOMIASIS DRUG DISCOVERY IN THE ERA OF AUTOMATION AND ARTIFICIAL INTELLIGENCE
Moreira Filho, José T. et al. | Date Issued: 2021
Author
Moreira Filho, José T.
Silva, Arthur C.
Dantas, Rafael F.
Gomes, Barbara F.
Souza Neto, Lauro R.
Brandão Neto, Jose
Owens, Raymond J.
Furnham, Nicholas
Neves, Bruno J.
Silva Junior, Floriano P.
Andrade, Carolina H.
Affilliation
Universidade Federal de Goiás. Faculdade de Farmácia. LabMol-Laboratório de Modelagem Molecular e Design de Drogas. Goiânia, GO, Brasil.
Universidade Federal de Goiás. Faculdade de Farmácia. LabMol-Laboratório de Modelagem Molecular e Design de Drogas. Goiânia, GO, Brasil.
Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Bioquímica Experimental e Computacional de Fármacos. Rio de Janeiro, RJ, Brasil.
Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Bioquímica Experimental e Computacional de Fármacos. Rio de Janeiro, RJ, Brasil.
Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Bioquímica Experimental e Computacional de Fármacos. Rio de Janeiro, RJ, Brasil.
Diamond Light Source Ltd.. Didcot, United Kingdom / Research Complex at Harwell, Didcot, United Kingdom.
The Rosalind Franklin Institute, Harwell, United Kingdom / Division of Structural Biology, The Wellcome Centre for Human Genetic, University of Oxford, Oxford, United Kingdom.
Department of Infection Biology, Faculty of Infectious and Tropical Diseases, London School of Hygiene and Tropical Medicine.London, United Kingdom.
Universidade Federal de Goiás. Faculdade de Farmácia. LabMol-Laboratório de Modelagem Molecular e Design de Drogas. Goiânia, GO, Brasil.
Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Bioquímica Experimental e Computacional de Fármacos. Rio de Janeiro, RJ, Brasil.
Universidade Federal de Goiás. Faculdade de Farmácia. LabMol-Laboratório de Modelagem Molecular e Design de Drogas. Goiânia, GO, Brasil.
Abstract
Schistosomiasis is a parasitic disease caused by trematode worms of the genus Schistosoma and affects over 200 million people worldwide. The control and treatment of this neglected tropical disease is based on a single drug, praziquantel, which raises concerns about the development of drug resistance. This, and the lack of efficacy of praziquantel against juvenile worms, highlights the urgency for new antischistosomal therapies. In this review we focus on innovative approaches to the identification of antischistosomal drug candidates, including the use of automated assays, fragment based screening, computer-aided and artificial intelligence-based computational methods. We highlight the current developments that may contribute to optimizing research outputs and lead to more effective drugs for this highly prevalent disease, in a more cost-effective drug discovery endeavor.
Keywords in Portuguese
Esquistossomose
Descoberta de drogas
Inteligência artificial
Descoberta de drogas baseada em fragmentos
Triagem fenotípica
Triagem baseada em alvos
 
Keywords
Schistosomiasis
Drug discovery
Artificial intelligence
Fragment-based drug discovery
Phenotypic screening
Target-based screening
 
Publisher
Frontiers Media
Citation
MOREIRA FILHO, José T. et al. Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence. Front. Immunol., v. 12, Article 642383, 29 p, May 2021.
ISSN
1664-3224