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Refining wet lab experiments with in silico searches: A rational quest for diagnostic peptides in visceral leishmaniasis.

Bruno Cesar Bremer HinckelTegwen MarlaisStephanie AirsTapan BhattacharyyaHideo ImamuraJean-Claude DujardinSayda El-SafiOm Prakash SinghShyam SundarAndrew Keith FalconarBjorn AnderssonSergey LitvinovMichael A MilesPascal Mertens
Published in: PLoS neglected tropical diseases (2019)
We employed in silico searches to reduce drastically the output of wet lab experiments, focusing on promising candidates containing selected protein features. By predicting epitopes in silico we screened a large number of peptides using arrays, identifying the most promising one, for which IgG1 sensitivity and specificity, with limited sample size, supported this proof of concept strategy for diagnostics discovery, which can be applied to the development of more robust IgG1 RDTs for monitoring clinical status in VL.
Keyphrases
  • molecular docking
  • amino acid
  • small molecule
  • high throughput
  • protein protein
  • molecular dynamics simulations
  • high density