In silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansoni

Página do item simplificado
dc.creatorNeves, Bruno Junior
dc.creatorBraga, Rodolpho de Campos
dc.creatorBezerra, José Clecildo Barreto
dc.creatorCravo, Pedro Vitor Lemos
dc.creatorAndrade, Carolina Horta
dc.date.accessioned2020-02-11T10:47:25Z
dc.date.available2020-02-11T10:47:25Z
dc.date.issued2015
dc.description.abstractMorbidity and mortality caused by schistosomiasis are serious public health problems in developing countries. Because praziquantel is the only drug in therapeutic use, the risk of drug resistance is a concern. In the search for new schistosomicidal drugs, we performed a target-based chemogenomics screen of a dataset of 2,114 proteins to identify drugs that are approved for clinical use in humans that may be active against multiple life stages of Schistosoma mansoni. Each of these proteins was treated as a potential drug target, and its amino acid sequence was used to interrogate three databases: Therapeutic Target Database (TTD), DrugBank and STITCH. Predicted drug-target interactions were refined using a combination of approaches, including pairwise alignment, conservation state of functional regions and chemical space analysis. To validate our strategy, several drugs previously shown to be active against Schistosoma species were correctly predicted, such as clonazepam, auranofin, nifedipine, and artesunate. We were also able to identify 115 drugs that have not yet been experimentally tested against schistosomes and that require further assessment. Some examples are aprindine, gentamicin, clotrimazole, tetrabenazine, griseofulvin, and cinnarizine. In conclusion, we have developed a systematic and focused computer-aided approach to propose approved drugs that may warrant testing and/or serve as lead compounds for the design of new drugs against schistosomes.pt_BR
dc.identifier.citationEVES, Bruno J. In silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansoni. Plos Neglected Tropical Diseases, San Francisco, v. 9, n. 1, p. e3435, 2015.pt_BR
dc.identifier.doi10.1371/journal.pntd.0003435.
dc.identifier.urihttp://repositorio.bc.ufg.br/handle/ri/18632
dc.language.isoengpt_BR
dc.publisher.countryEstados unidospt_BR
dc.publisher.departmentInstituto de Patologia Tropical e Saúde Pública - IPTSP (RG)pt_BR
dc.rightsAcesso Abertopt_BR
dc.titleIn silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansonipt_BR
dc.typeArtigopt_BR

Arquivos

Pacote Original
Agora exibindo 1 - 1 de 1
Imagem de Miniatura
Nome:
Artigo - Bruno Junior Neves - 2015.pdf
Tamanho:
1.31 MB
Formato:
Adobe Portable Document Format
Baixar
Licença do Pacote
Agora exibindo 1 - 1 de 1
Nenhuma Miniatura disponível
Nome:
license.txt
Tamanho:
1.71 KB
Formato:
Item-specific license agreed upon to submission
Descrição:
Baixar

Coleções

ICB - Artigos publicados em periódicos