bioRxivPharmacology & ToxicologyPreprint
Discovery of imidazole-based inhibitors of P. falciparum cGMP-dependent protein kinase
R. R. Yadav, M. L. de Souza, M. L. Gonzalez, S. U. Mahmood, T. Eck, T. Kreiss, S. O. Aylor, A. Roth, P. Lee, B. S. Pybus, D. J. Colussi, W. E. Childers, J. Gordon, J. J. Siekierka, P. Bhanot, D. P. Rotella
Abstract
The discovery of new targets for treatment of malaria and in particular those aimed at the pre-erythrocytic stage in the life cycle, advanced with the demonstration that orally administered inhibitors of Plasmodium falciparum cGMP-dependent protein kinase (PfPKG) could clear infection in a murine model. This enthusiasm was tempered by unsatisfactory safety and/or pharmacokinetic issues found with these chemotypes. To address the urgent need for new scaffolds, this manuscript presents initial structure-activity relationships in an imidazole scaffold at four positions, representative in vitro ADME, hERG characterization and cell-based anti-parasitic activity. This series of PfPKG inhibitors has good in vitro PfPKG potency, low hERG activity and cell-based anti-parasitic activity against multiple Plasmodium species that appears to correlate with in vitro potency.
- organism: mouse
- assay: proteomics
- research focus: drug response / drug discovery
- approach: experimental assay
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