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We report a molecular docking study building on the most recently obtained X\u2010ray structure of the <jats:italic>Saccharomyces cerevisiae bc<\/jats:italic><jats:sub>1<\/jats:sub> complex (PDB code: 3CX5) using several reported inhibitors with experimentally determined <jats:italic>IC<\/jats:italic><jats:sub>50<\/jats:sub> values against the <jats:italic>Plasmodium falciparum bc<\/jats:italic><jats:sub>1<\/jats:sub> complex. We produced a molecular docking model that correlated the calculated binding free energy with the experimental inhibitory activity of each compound. This Q<jats:sub>o<\/jats:sub> model was used to search the drug\u2010like database included in the MOE package for novel potential <jats:italic>bc<\/jats:italic><jats:sub>1<\/jats:sub> complex inhibitors. Twenty three compounds were chosen to be tested for their antimalarial activity and four of these compounds demonstrated activity against the chloroquine\u2010resistant W2 strain of <jats:italic>P. falciparum<\/jats:italic>. The most active compounds were also active against the atovaquone\u2010resistant <jats:italic>P. falciparum<\/jats:italic> FCR3 strain and <jats:italic>S. cerevisiae<\/jats:italic>. Our study suggests the validity of the yeast <jats:italic>bc<\/jats:italic><jats:sub>1<\/jats:sub> complex structure as a model for the discovery of new antimalarial hits.<\/jats:p>","DOI":"10.1002\/minf.201300024","type":"journal-article","created":{"date-parts":[[2013,6,20]],"date-time":"2013-06-20T17:29:20Z","timestamp":1371749360000},"page":"659-670","source":"Crossref","is-referenced-by-count":14,"title":["Exploring the Molecular Basis of Q<sub>o<\/sub><i>bc<\/i><sub>1<\/sub> Complex Inhibitors Activity to Find Novel Antimalarials Hits"],"prefix":"10.1002","volume":"32","author":[{"given":"Marta P.","family":"Carrasco","sequence":"first","affiliation":[]},{"given":"Jiri","family":"Gut","sequence":"additional","affiliation":[]},{"given":"Tiago","family":"Rodrigues","sequence":"additional","affiliation":[]},{"given":"Maria H. 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