Identification and activity of inhibitors of the essential nematode-specific metalloprotease DPY-31

Bioorg Med Chem Lett. 2015 Dec 15;25(24):5752-5. doi: 10.1016/j.bmcl.2015.10.077. Epub 2015 Nov 3.

Abstract

Infection by parasitic nematodes is widespread in the developing world causing extensive morbidity and mortality. Furthermore, infection of animals is a global problem, with a substantial impact on food production. Here we identify small molecule inhibitors of a nematode-specific metalloprotease, DPY-31, using both known metalloprotease inhibitors and virtual screening. This strategy successfully identified several μM inhibitors of DPY-31 from both the human filarial nematode Brugia malayi, and the parasitic gastrointestinal nematode of sheep Teladorsagia circumcincta. Further studies using both free living and parasitic nematodes show that these inhibitors elicit the severe body morphology defect 'Dumpy' (Dpy; shorter and fatter), a predominantly non-viable phenotype consistent with mutants lacking the DPY-31 gene. Taken together, these results represent a start point in developing DPY-31 inhibition as a totally novel mechanism for treating infection by parasitic nematodes in humans and animals.

Keywords: Anthelmintic; Docking; Metalloprotease inhibitor; Nematode; Peptidomimetic.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Binding Sites
  • Brugia malayi / enzymology
  • Caenorhabditis elegans / enzymology
  • Caenorhabditis elegans Proteins / antagonists & inhibitors
  • Caenorhabditis elegans Proteins / genetics
  • Caenorhabditis elegans Proteins / metabolism
  • Helminth Proteins / antagonists & inhibitors*
  • Helminth Proteins / metabolism
  • Humans
  • Hydroxamic Acids / chemistry
  • Hydroxamic Acids / metabolism
  • Inhibitory Concentration 50
  • Metalloendopeptidases / antagonists & inhibitors
  • Metalloendopeptidases / genetics
  • Metalloendopeptidases / metabolism
  • Metalloproteases / antagonists & inhibitors
  • Metalloproteases / metabolism
  • Molecular Docking Simulation
  • Nematoda / enzymology*
  • Protease Inhibitors / chemistry*
  • Protease Inhibitors / metabolism
  • Protein Structure, Tertiary
  • Recombinant Proteins / biosynthesis
  • Recombinant Proteins / chemistry
  • Recombinant Proteins / isolation & purification
  • Sheep

Substances

  • Caenorhabditis elegans Proteins
  • Helminth Proteins
  • Hydroxamic Acids
  • Protease Inhibitors
  • Recombinant Proteins
  • DPY-31 protein, C elegans
  • Metalloproteases
  • Metalloendopeptidases