ArticleJournal of computer-aided molecular design2017
Discovery of novel inhibitors for Leishmania nucleoside diphosphatase kinase (NDK) based on its structural and functional characterization.
Article in Journal of computer-aided molecular design, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Exploring Lamiaceae diterpenoids as potential multitarget therapeutics for leishmaniasis and chagas disease.Molecular diversity · 2026Article
- Drug Discovery for Cutaneous Leishmaniasis: A Review of Developments in the Past 15 Years.Microorganisms · 2023Review
- Development of Novel Anti-Leishmanials: The Case for Structure-Based Approaches.Pathogens (Basel, Switzerland) · 2022Review
- NDK/NME proteins: a host-pathogen interface perspective towards therapeutics.Current genetics · 2022Review
- Revisiting trypanosomatid nucleoside diphosphate kinases.Memorias do Instituto Oswaldo Cruz · 2022Review
- Gene Annotation and Transcriptome Delineation on a De Novo Genome Assembly for the ReferenceGenes · 2021Article
- Computational approaches for drug discovery against trypanosomatid-caused diseases.Parasitology · 2020Review
- Repurposing of known drugs for leishmaniasis treatment using bioinformatic predictions, in vitro validations and pharmacokinetic simulations.Journal of computer-aided molecular design · 2019Article
- Molecular and structural basis of nucleoside diphosphate kinase-mediated regulation of spore and sclerotia development in the fungusThe Journal of biological chemistry · 2019Article
- CSGID Solves Structures and Identifies Phenotypes for Five Enzymes inFrontiers in cellular and infection microbiology · 2018Article
Corrections and comments
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Authors and funding
10 authors.
Funding
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Abstract
Nucleoside diphosphate kinases (NDKs) are ubiquitous enzymes that catalyze the transfer of the γ-phosphate moiety from an NTP donor to an NDP acceptor, crucial for maintaining the cellular level of nucleoside triphosphates (NTPs). The inability of trypanosomatids to synthesize purines de novo and their dependence on the salvage pathway makes NDK an attractive target to develop drugs for the diseases they cause. Here we report the discovery of novel inhibitors for Leishmania NDK based on the structural and functional characterization of purified recombinant NDK from Leishmania amazonensis. Recombinant LaNDK possesses auto-phosphorylation, phosphotransferase and kinase activities with Histidine 117 playing an essential role. LaNDK crystals were grown by hanging drop vapour diffusion method in a solution containing 18% PEG-MME 500, 100 mM Bis-Tris propane pH 6.0 and 50 mM MgCl
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Registered trials
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