The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase.

ID: ALA1148537

Journal: Bioorg Med Chem Lett

Title: The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase.

Authors: Heikkilä T, Thirumalairajan S, Davies M, Parsons MR, McConkey AG, Fishwick CW, Johnson AP.

Abstract: The de novo molecular design program SPROUT has been applied to the X-ray crystal structures of Plasmodium and human dihydroorotate dehydrogenase, respectively. The resulting design templates were used to prepare a series of molecules which, in keeping with predictions, showed useful levels of species-selective enzyme inhibition.

CiteXplore: 16236496

DOI: 10.1016/j.bmcl.2005.09.045

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