In silico repositioning of new drugs against Schistosoma mansoni
Carregando...
Data
2018-09
Título da Revista
ISSN da Revista
Título de Volume
Editor
Ruy de Souza Lino Junior
Resumo
Schistosomiasis is a neglected tropical disease caused by parasites of the genus Schistosoma.
In Brazil only Schistosoma mansoni causes this disease. The World Health Organization
estimated in 2012 approximately 249 million people at risk of acquiring this disease around
the world. The main strategy to control this disease is praziquantel treatment of individuals
living in endemic areas. The drug praziquantel is used on a large scale in the treatment of
schistosomiasis and currently there are reported cases of resistance, indicating the need to
discover new drugs. In silico drug repositioning is a time and cost reducing strategy in the
search for anti-Schistosoma agents. This work used bioinformatic tools to identify potential
schistosomicidal drugs. A list was compiled of S. mansoni potential targets that are part of
essential processes in the database TDR and the targets that are part of the tegument were
obtained in the scientific literature. The file with S. mansoni targets contained 1,376 targets,
and of these only 61 targets associated with 399 drugs had homology with drug targets. After
removal of duplicate drugs, drugs found in previous studies and after the analysis of the
conservation of the binding site, only 28 S. mansoni targets associated with 102 drugs had
60% or more of the active site conserved. Some of the drugs had activity and are interesting to
validate this study such as: artemether, lumefantrine, meloxicam. Among the drugs found 18
drugs were selected to be tested in prospective experimental assays according to the following
criteria: low toxicity in vivo, off-patent status, and logP <5.0.
Descrição
Palavras-chave
Control, Schistosoma mansoni, Drug repositioning, Chemogenomics
Citação
BEZERRA, José Clecildo Barreto; ARANTES, Morgana Elias; ANDRADE, Carolina Horta; SILVA, Lourival Almeida; NEVES, Bruno Junior. In silico repositioning of new drugs against Schistosoma mansoni. Revista de Patologia Tropical, Goiânia, v. 47, n. 3, p. 159-166, jul./sep. 2018. Disponível em: https://www.revistas.ufg.br/iptsp/article/view/55429/26478.