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High Target Homology Does Not Guarantee Inhibition: Aminothiazoles Emerge as Inhibitors of Plasmodium falciparum

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Author(s):
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Johannsen, Sandra ; Gierse, Robin M. ; Kru''ger, Arne ; Edwards, Rachel L. ; Nanna, Vittoria ; Fontana, Anna ; Zhu, Di ; Masini, Tiziana ; de Carvalho, Lais Pessanha ; Poizat, Mael ; Kieftenbelt, Bart ; Hodge, Dana M. ; Alvarez, Sophie ; Bunt, Daan ; Lacour, Antoine ; Shams, Atanaz ; Meissner, Kamila Anna ; de Souza, Edmarcia Elisa ; Dro''ge, Melloney ; van Vliet, Bernard ; den Hartog, Jack ; Hutter, Michael C. ; Held, Jana ; Odom John, Audrey R. ; Wrenger, Carsten ; Hirsch, Anna K. H.
Total Authors: 26
Document type: Journal article
Source: ACS INFECTIOUS DISEASES; v. 10, n. 3, p. 23-pg., 2024-02-17.
Abstract

In this study, we identified three novel compound classes with potent activity against Plasmodium falciparum, the most dangerous human malarial parasite. Resistance of this pathogen to known drugs is increasing, and compounds with different modes of action are urgently needed. One promising drug target is the enzyme 1-deoxy-d-xylulose-5-phosphate synthase (DXPS) of the methylerythritol 4-phosphate (MEP) pathway for which we have previously identified three active compound classes against Mycobacterium tuberculosis. The close structural similarities of the active sites of the DXPS enzymes of P. falciparum and M. tuberculosis prompted investigation of their antiparasitic action, all classes display good cell-based activity. Through structure-activity relationship studies, we increased their antimalarial potency and two classes also show good metabolic stability and low toxicity against human liver cells. The most active compound 1 inhibits the growth of blood-stage P. falciparum with an IC50 of 600 nM. The results from three different methods for target validation of compound 1 suggest no engagement of DXPS. All inhibitor classes are active against chloroquine-resistant strains, confirming a new mode of action that has to be further investigated. (AU)

FAPESP's process: 18/08820-0 - Nanoparticle-assisted drug delivery of Vitamin B6 pathway inhibitors in malaria
Grantee:Arne Kruger
Support Opportunities: Scholarships in Brazil - Doctorate
FAPESP's process: 15/26722-8 - Drug discovery against human infectious diseases
Grantee:Carsten Wrenger
Support Opportunities: Research Projects - Thematic Grants
FAPESP's process: 17/03966-4 - Targeting lipoic acid salvage and biosynthesis pathways in MRSA
Grantee:Carsten Wrenger
Support Opportunities: Regular Research Grants
FAPESP's process: 16/24790-9 - Dissecting Plasmodium falciparum EXP1/GST2 for xenobiotic defence in glucose-6-phosphate dehydrogenase deficiency
Grantee:Kamila Anna Meissner
Support Opportunities: Scholarships in Brazil - Post-Doctoral
FAPESP's process: 20/12277-0 - Drug discovery against human infectious diseases
Grantee:Edmarcia Elisa de Souza
Support Opportunities: Scholarships in Brazil - Post-Doctoral