A minimalistic approach to develop new anti-apicomplexa polyamines analogs

Esteban A. Panozzo-Zénere, Exequiel O.J. Porta, Gustavo Arrizabalaga, Lucía Fargnoli, Shabana I. Khan, Babu L. Tekwani, Guillermo R. Labadie

Research output: Contribution to journalArticle

2 Scopus citations

Abstract

The development of new chemical entities against the major diseases caused by parasites is highly desired. A library of thirty diamines analogs following a minimalist approach and supported by chemoinformatics tools have been prepared and evaluated against apicomplexan parasites. Different member of the series of N,N′-disubstituted aliphatic diamines shown in vitro activities at submicromolar concentrations and high levels of selectivity against Toxoplasma gondii and in chloroquine-sensitive and resistant-strains of Plasmodium falciparum. In order to demonstrate the importance of the secondary amines, ten N,N,N′,N′-tetrasubstituted aliphatic diamines derivatives were synthesized being considerably less active than their disubstituted counterpart. Theoretical studies were performed to establish the electronic factors that govern the activity of the compounds.

Original languageEnglish (US)
Pages (from-to)866-880
Number of pages15
JournalEuropean Journal of Medicinal Chemistry
Volume143
DOIs
StatePublished - Jan 1 2018

Keywords

  • Anti-apicomplexa
  • Cheminformatics
  • N,N′-disubstituted diamines
  • NTDs
  • Polyamines

ASJC Scopus subject areas

  • Pharmacology
  • Drug Discovery
  • Organic Chemistry

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    Panozzo-Zénere, E. A., Porta, E. O. J., Arrizabalaga, G., Fargnoli, L., Khan, S. I., Tekwani, B. L., & Labadie, G. R. (2018). A minimalistic approach to develop new anti-apicomplexa polyamines analogs. European Journal of Medicinal Chemistry, 143, 866-880. https://doi.org/10.1016/j.ejmech.2017.11.069