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Identification of small molecule enzyme inhibitors as broad-spectrum anthelmintics.
- Source :
-
Scientific reports [Sci Rep] 2019 Jun 24; Vol. 9 (1), pp. 9085. Date of Electronic Publication: 2019 Jun 24. - Publication Year :
- 2019
-
Abstract
- Targeting chokepoint enzymes in metabolic pathways has led to new drugs for cancers, autoimmune disorders and infectious diseases. This is also a cornerstone approach for discovery and development of anthelmintics against nematode and flatworm parasites. Here, we performed omics-driven knowledge-based identification of chokepoint enzymes as anthelmintic targets. We prioritized 10 of 186 phylogenetically conserved chokepoint enzymes and undertook a target class repurposing approach to test and identify new small molecules with broad spectrum anthelmintic activity. First, we identified and tested 94 commercially available compounds using an in vitro phenotypic assay, and discovered 11 hits that inhibited nematode motility. Based on these findings, we performed chemogenomic screening and tested 32 additional compounds, identifying 6 more active hits. Overall, 6 intestinal (single-species), 5 potential pan-intestinal (whipworm and hookworm) and 6 pan-Phylum Nematoda (intestinal and filarial species) small molecule inhibitors were identified, including multiple azoles, Tadalafil and Torin-1. The active hit compounds targeted three different target classes in humans, which are involved in various pathways, including carbohydrate, amino acid and nucleotide metabolism. Last, using representative inhibitors from each target class, we demonstrated in vivo efficacy characterized by negative effects on parasite fecundity in hamsters infected with hookworms.
- Subjects :
- Amino Acid Sequence
Animals
Anthelmintics chemistry
Anthelmintics metabolism
Cricetinae
Cyclic Nucleotide Phosphodiesterases, Type 5 chemistry
Cyclic Nucleotide Phosphodiesterases, Type 5 metabolism
Drug Evaluation, Preclinical
Enzyme Inhibitors chemistry
Enzyme Inhibitors metabolism
Humans
Molecular Docking Simulation
Nematoda drug effects
Phenotype
Protein Conformation
Small Molecule Libraries chemistry
Small Molecule Libraries metabolism
Structure-Activity Relationship
Anthelmintics pharmacology
Enzyme Inhibitors pharmacology
Small Molecule Libraries pharmacology
Subjects
Details
- Language :
- English
- ISSN :
- 2045-2322
- Volume :
- 9
- Issue :
- 1
- Database :
- MEDLINE
- Journal :
- Scientific reports
- Publication Type :
- Academic Journal
- Accession number :
- 31235822
- Full Text :
- https://doi.org/10.1038/s41598-019-45548-7