2. Academic Validation
  3. In vitro screening of 2-(1H-imidazol-1-yl)-1-phenylethanol derivatives as antiprotozoal agents and docking studies on Trypanosoma cruzi CYP51

In vitro screening of 2-(1H-imidazol-1-yl)-1-phenylethanol derivatives as antiprotozoal agents and docking studies on Trypanosoma cruzi CYP51

  • Eur J Med Chem. 2016 May 4:113:28-33. doi: 10.1016/j.ejmech.2016.02.028.
Daniela De Vita 1,  Francesca Moraca 2,  Claudio Zamperini 2,  Fabiana Pandolfi 3,  Roberto Di Santo 4,  An Matheeussen 5,  Louis Maes 5,  Silvano Tortorella 3,  Luigi Scipione 3
Affiliations

Affiliations

  • 1 Department of "Chimica e Tecnologie del Farmaco", Sapienza University of Rome, Piazzale Aldo Moro, 5, 00185 Rome, Italy. Electronic address: daniela.devita@uniroma1.it.
  • 2 Department of "Biotecnologie, Chimica e Farmacia", "University of Siena", Via A. Moro 2, 53100 Siena, Italy.
  • 3 Department of "Chimica e Tecnologie del Farmaco", Sapienza University of Rome, Piazzale Aldo Moro, 5, 00185 Rome, Italy.
  • 4 Department of "Chimica e Tecnologie del Farmaco", Sapienza University of Rome, Piazzale Aldo Moro, 5, 00185 Rome, Italy; "Istituto Pasteur-Fondazione Cenci Bolognetti", Department of "Chimica e Tecnologie del Farmaco", Sapienza University of Rome, Piazzale Aldo Moro, 5, 00185 Rome, Italy.
  • 5 Laboratory for Microbiology, Parasitology and Hygiene (LMPH), Faculty of Pharmaceutical, Biomedical and Veterinary Sciences, Antwerp University, 2610 Antwerp, Belgium.
PMID: 26922226 DOI: 10.1016/j.ejmech.2016.02.028
Abstract

Sterol 14α-demethylase (CYP51) is a key Enzyme involved in the survival and virulence of many Parasite protozoa, such as Trypanosoma and Leishmania species, thus representing a valuable drug target for the treatment of Kinetoplastid diseases. A set of azole-based compounds selected from an in-house compound library was in vitro screened against different human protozoan parasites. Several compounds showed selective activity against Trypanosoma cruzi, with compound 7 being the most active (IC50 = 40 nM). Given the structural similarity between the compounds here reported and known CYP51 inhibitors, a molecular docking study was performed to assess their binding with protozoal target and to rationalize the biological activity data.

Keywords

Azoles; CYP51; Trypanosoma cruzi.

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