Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence

Autor: Moreira-Filho, José T, Silva, Arthur C, Dantas, Rafael F, Gomes, Barbara F, Souza Neto, Lauro R, Brandao-Neto, Jose, Owens, Raymond J, Furnham, Nicholas, Neves, Bruno J, Silva-Junior, Floriano P, Andrade, Carolina H

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 raise

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

Autor: Moreira-Filho JT; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás - UFG, Goiânia, Brazil., Silva AC; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás - UFG, Goiânia, Brazil., Dantas RF; LaBECFar - Laboratório de Bioquímica Experimental e Computacional de Fármacos, Instituto Oswaldo Cruz, Fundação Oswaldo Cruz, Rio de Janeiro, Brazil., Gomes BF; LaBECFar - Laboratório de Bioquímica Experimental e Computacional de Fármacos, Instituto Oswaldo Cruz, Fundação Oswaldo Cruz, Rio de Janeiro, Brazil., Souza Neto LR; LaBECFar - Laboratório de Bioquímica Experimental e Computacional de Fármacos, Instituto Oswaldo Cruz, Fundação Oswaldo Cruz, Rio de Janeiro, Brazil., Brandao-Neto J; Diamond Light Source Ltd., Didcot, United Kingdom.; Research Complex at Harwell, Didcot, United Kingdom., Owens RJ; The Rosalind Franklin Institute, Harwell, United Kingdom.; Division of Structural Biology, The Wellcome Centre for Human Genetic, University of Oxford, Oxford, United Kingdom., Furnham N; Department of Infection Biology, Faculty of Infectious and Tropical Diseases, London School of Hygiene and Tropical Medicine, London, United Kingdom., Neves BJ; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás - UFG, Goiânia, Brazil., Silva-Junior FP; LaBECFar - Laboratório de Bioquímica Experimental e Computacional de Fármacos, Instituto Oswaldo Cruz, Fundação Oswaldo Cruz, Rio de Janeiro, Brazil., Andrade CH; LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmácia, Universidade Federal de Goiás - UFG, Goiânia, Brazil.

Publikováno v: Frontiers in immunology [Front Immunol] 2021 May 31; Vol. 12, pp. 642383. Date of Electronic Publication: 2021 May 31 (Print Publication: 2021).