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

Cytochrome bc1 is a validated drug target in malaria parasites. The spread of Plasmodiumfalciparum 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.