Novartis-GNF Malaria Box Dataset (hits from P. falciparum whole-cell screening)
Screening commercially available compounds in GNF's nonproprietary libraries identified inhibitors of proliferation of P. falciparum strain 3D7 in human erythrocytes. The dataset contains the structures and screening data for over 5,600 compounds, which were tested in dose response and confirmed to inhibit parasite growth by more than 50% at the highest screening concentration (1.25 or 12.5 uM). Over 3200 compounds of these compounds were available for testing in powder format which allowed for testing at higher concentrations (12.5 uM) using freshly diluted stocks. Activity against the multidrug resistant W2 strain is also available. In addition, we have included data for a human cell cytotoxicity selectivity screen using the Huh7 human hepatocellular carcinoma cell line and deposited an indication of the 'promiscuity' of the hits (the IFI index) in other high-throughput assays at the Genomics Institute of the Novartis Research Foundation. All efforts have been made to ensure data quality and accuracy, but users are reminded that these data carry the usual caveats associated with results from large scale screening.