Target-based molecular modeling strategies for schistosomiasis drug discovery

Autor(es)

Ferreira, Leonardo G. ^[1] ; Oliva, Glaucius ^[1] ; Andricopulo, Adriano D. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Sao Paulo, Inst Fis Sao Carlos, Lab Quim Med & Computac, Ctr Pesquisa & Inovacao Biodiversidade & Farmacos, BR-13563120 Sao Carlos, SP - Brazil

• Tipo de documento: Artigo de Revisão
• Fonte: Future Medicinal Chemistry; v. 7, n. 6, p. 753-764, 2015.
• Citações Web of Science: 11

Resumo

Schistosomiasis, a neglected tropical disease caused by worms from the class Trematoda (genus Schistosoma), is a serious chronic condition that has been reported in approximately 80 countries. Nearly 250 million people are affected worldwide, mostly in the sub-Saharan Africa. Praziquantel, the mainstay of treatment, has been used for 30 years, and cases of resistance have been reported. The purpose of this perspective is to discuss current target-based molecular modeling strategies in schistosomiasis drug discovery. Advances in the field and the role played by the integration between computational modeling and experimental validation are also discussed. Finally, recent cases of the contribution of modern approaches in computational medicinal chemistry to the field are explored. (AU)

• Processo FAPESP: 13/07600-3 - CIBFar - Centro de Inovação em Biodiversidade e Fármacos
• Beneficiário: Glaucius Oliva
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs
• Processo FAPESP: 13/25658-9 - Planejamento e Desenvolvimento de Candidatos a Fármacos para a Doença de Chagas
• Beneficiário: Leonardo Luiz Gomes Ferreira
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado