The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase
Bioorg. Med. Chem. Lett.
16 (1), pp 88-92
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.
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