期刊
FUTURE MEDICINAL CHEMISTRY
卷 7, 期 6, 页码 753-764出版社
FUTURE SCI LTD
DOI: 10.4155/FMC.15.21
关键词
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资金
- State of Sao Paulo Research Foundation (FAPESP, Fundacao de Amparo a Pesquisa do Estado de Sao Paulo) [2013/07600-3, 2013/25658-9]
- National Council for Scientific and Technological Development (CNPq, Conselho Nacional de Pesquisa e Desenvolvimento), Brazil
- Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) [13/07600-3] Funding Source: FAPESP
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.
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