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- W2260689076 abstract "The plasmepsins involved in the degradation of host cell hemoglobin during malaria infection. Plasmepsin II initiate the degradative process, and have been suggested as attractive targets for treatment of malaria. Thirty compounds were already identified by post-processing the resultsof a large docking screen of commercially available compounds using an automated procedure based on molecular dynamics refinement and binding free-energy estimation using MM-PBSA and MM-GBSA1). In this work, these were experimentally validated using an inhibition assaybased on FRET and Hemoglobin substrate degradation. Remarkably, 26 of the 30 tested compounds were proved to be active as plasmepsin II inhibitors, with IC50 values (FRET) ranging from 4.3 nM to 1.8 μM. Also, hemoglobin degradation by recombinant plasmepsin II wascompletely inhibited by 100 μM compound 7. These results show that new structural class was not only inhibiting plasmepsin II in vitro but was also active in an human hemoglobin. These experiments suggest the overall approach in the design of powerful and selective plasmepsin IIinhibitor." @default.
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- W2260689076 date "2009-10-01" @default.
- W2260689076 modified "2023-09-28" @default.
- W2260689076 title "Finding Inhibitors Against Plasmepsin II – Potential Antimalarial Agents" @default.
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