Proceedings of the National Academy of Sciences of the United States of America · 2021
Peptidic boronic acids are potent cell-permeable inhibitors of the malaria parasite egress serine protease SUB1.
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Lidumniece Elina, Withers-Martinez Chrislaine, Hackett Fiona, Collins Christine R, Perrin Abigail J, Koussis Konstantinos, Bisson Claudine, Blackman Michael J, Jirgensons Aigars
Аннотация
Malaria is a devastating infectious disease, which causes over 400,000 deaths per annum and impacts the lives of nearly half the world's population. The causative agent, a protozoan parasite, replicates within red blood cells (RBCs), eventually destroying the cells in a lytic process called egress to release a new generation of parasites. These invade fresh RBCs to repeat the cycle. Egress is regulated by an essential parasite subtilisin-like serine protease called SUB1. Here, we describe the development and optimization of substrate-based peptidic boronic acids that inhibit Plasmodium falciparum SUB1 with low nanomolar potency. Structural optimization generated membrane-permeable, slow off-rate inhibitors that prevent Pfalciparum egress through direct inhibition of SUB1 activity and block parasite replication in vitro at submicromolar concentrations. Our results validate SUB1 as a potential target for a new class of antimalarial drugs designed to prevent parasite replication and disease progression.
Предметные рубрики MeSH
AntimalarialsBinding SitesBoronic AcidsDrug DesignErythrocytesGene ExpressionHumansKineticsLife Cycle StagesModels, MolecularMolecular Docking SimulationPeptidesPlasmodium falciparumProtein BindingProtein ConformationProtein Interaction Domains and MotifsProtozoan ProteinsStructure-Activity RelationshipSubstrate SpecificitySubtilisinsThermodynamics