�Scientists Against Malaria� (SAM) is an international virtual organization designed to apply modern drug design and modelling techniques in combination with industry standard infrastructure and interdisciplinary science to develop new treatments against malaria. Our strategy strongly relies on the use and development of a novel collaborative research workflow where several computational and experimental groups meet thanks to new technology information systems.The first pipeline project of SAM will be described, which is devoted to finding hit compounds against the genetically validated target Pfmap-2 (a P. falciparum MAP kinase) from a novel chemical library. The strategy involves several virtual screening techniques, including pharmacophore based searching and receptor-based virtual screening based on  several docking algorithms. The output of the docking experiments were integrated by a new consensus scoring function developed for this purpose. Preliminary results have identified, and experimentally validated recombinant Pfmap-2 activity of 5 lead compounds showing an interesting chemical diversity.

"Scientists Against Malaria," a collaborative drug discovery research initiative

243rd National Meeting (2012)

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