Identification of new antimalarial leads by use of virtual screening against cytochrome bc1

Tiago Rodrigues, Rui Moreira, Jiri Gut, Philip J. Rosenthal, Paul M. O'Neill, Giancarlo A. Biagini, Francisca Lopes, Daniel J.V.A. Dos Santos, Rita C. Guedes

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)

Abstract

Cytochrome bc1 is a validated drug target in malaria parasites. The spread of Plasmodium falciparum strains resistant to multiple antimalarials emphasizes the urgent need for new drugs. We screened in silico the ZINC and MOE databases, using ligand-and structure-based approaches, to identify new leads for development. The most active compound presented an IC50 value against cultured P. falciparum of 2 μM and a docking pose consistent with its activity.

Original languageEnglish
Pages (from-to)6302-6308
Number of pages7
JournalBioorganic and Medicinal Chemistry
Volume19
Issue number21
DOIs
Publication statusPublished - 1 Nov 2011
Externally publishedYes

Keywords

  • malaria
  • pharmacophore
  • virtual screening

Fingerprint

Dive into the research topics of 'Identification of new antimalarial leads by use of virtual screening against cytochrome bc1'. Together they form a unique fingerprint.

Cite this