Exploration of 3-methylisoquinoline-4-carbonitriles as Protein Kinase A inhibitors of Plasmodium Falciparum
This article was originally published as:
Buskes, M. J., Harvey, K. L., Prinz, B., Crabb, B. S., Gilson, P. R., Wilson, D. J., & Abbott, B. M. (2016). Exploration of 3-methylisoquinoline-4-carbonitriles as protein kinase A inhibitors of Plasmodium falciparum. Bioorganic & Medicinal Chemistry, 24(11), 2389-2396. doi: 10.1016/j.bmc.2016.03.048
A series of isoquinolines have been evaluated in a homology model of Plasmodium falciparum Protein Kinase A (PfPKA) using molecular dynamics. Synthesis of these compounds was then undertaken to investigate their structure–activity relationships. One compound was found to inhibit parasite growth in an in vitro assay and provides a lead to further develop 3-methylisoquinoline-4-carbonitriles as antimalarial compounds. Development of a potent and selective PfPKA inhibitor would provide a useful tool to shed further insight into the mechanisms enabling malaria parasites to establish infection.
Buskes, Melissa J.; Harvey, Katherine L.; Prinz, Boris; Crabb, Brendan S.; Gilson, Paul R.; Wilson, David J.; and Abbott, Belinda M., "Exploration of 3-methylisoquinoline-4-carbonitriles as Protein Kinase A inhibitors of Plasmodium Falciparum" (2016). Science and Mathematics Papers and Journal Articles. 85.
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