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 language | English |
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Pages (from-to) | 6302-6308 |
Number of pages | 7 |
Journal | Bioorganic and Medicinal Chemistry |
Volume | 19 |
Issue number | 21 |
DOIs | |
Publication status | Published - 1 Nov 2011 |
Externally published | Yes |
Keywords
- malaria
- pharmacophore
- virtual screening