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Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.

ABSTRACT: Schistosomiasis is a major human parasitic disease afflicting more than 250 million people, historically treated with chemotherapies praziquantel or oxamniquine. Since oxamniquine is species-specific, killing Schistosoma mansoni but not other schistosome species (S. haematobium or S. japonicum) and evidence for drug resistant strains is growing, research efforts have focused on identifying novel approaches. Guided by data from X-ray crystallographic studies and Schistosoma worm killing assays on oxamniquine, our structure-based drug design approach produced a robust structure-activity relationship (SAR) program that identified several new lead compounds with effective worm killing. These studies culminated in the discovery of compound 12a, which demonstrated broad-species activity in killing S. mansoni (75%), S. haematobium (40%), and S. japonicum (83%).

SUBMITTER: Rugel A

PROVIDER: S-EPMC6187409 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature

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Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.

Rugel Anastasia A Tarpley Reid S RS Lopez Ambrosio A Menard Travis T Guzman Meghan A MA Taylor Alexander B AB Cao Xiaohang X Kovalskyy Dmytro D Chevalier Frédéric D FD Anderson Timothy J C TJC Hart P John PJ LoVerde Philip T PT McHardy Stanton F SF

ACS medicinal chemistry letters 20180914 10

Schistosomiasis is a major human parasitic disease afflicting more than 250 million people, historically treated with chemotherapies praziquantel or oxamniquine. Since oxamniquine is species-specific, killing Schistosoma mansoni but not other schistosome species (S. haematobium or S. japonicum) and evidence for drug resistant strains is growing, research efforts have focused on identifying novel approaches. Guided by data from X-ray crystallographic studies and Schistosom ...[more]

PMID: 30344901

Dataset Information

Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.

Publications

Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.

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