Target-based molecular modeling strategies for schistosomiasis drug discovery

Author(s)

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

Affiliation

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

• Document type: Review article
• Source: Future Medicinal Chemistry; v. 7, n. 6, p. 753-764, 2015.
• Web of Science Citations: 11

Abstract

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)

• FAPESP's process: 13/07600-3 - CIBFar - Center for Innovation in Biodiversity and Drug Discovery
• Grantee: Glaucius Oliva
• Support type: Research Grants - Research, Innovation and Dissemination Centers - RIDC
• FAPESP's process: 13/25658-9 - Design and development of drug candidates for Chagas Disease
• Grantee: Leonardo Luiz Gomes Ferreira
• Support type: Scholarships in Brazil - Post-Doctorate