Welcome
The WISDOM initiative aims at developing new drugs for neglected and emerging diseases with a particular focus on malaria.
Its specificity is to extensively rely on emerging information technologies to provide new tools and environments for drug discovery and development. Its main goal is to boost research and development on neglected diseases by fostering the use of open source information technology for drug discovery.
Started in 2005, the initiative has been initially focussing its effort on virtual screening. During the summer of 2005, a first large scale deployment allowed achieving in silico docking of 42 million compounds in about 6 weeks against a protein of the parasite responsible for malaria, Plasmodium Falciparum.
This success led to a second computing challenge targeting Avian Flu neuraminidase N1 that took place in April and May 2006.
The WISDOM initiative has also deployed a a second data challenge on malaria from October to January on several grid infrastructures including EGEE. During more than 2 months and a half, we have achieved 140 million dockings, representing an average throughput of almost 80,000 dockings per hour. This was made possible by the availability of thousands of CPUs through different infrastructures worldwide.
The WISDOM initiative is now deploying a second data challenge on avian flu neuraminidase N1.
Results from these three projects are being processed and tested in vitro.
In the perspective of a fully grid-enabled virtual screening pipeline, the collaboration investigates the reranking of the best hits using Molecular Dynamics on grid infrastructures.
We are very greatful for the support of the following projects:
- The European project EGEE (www.eu-egee.org)
- The European project BioinfoGRID (www.bioinfogrid.eu)
- The European network of excellence Embrace (www.embracegrid.info)
- The Auvergne Auvergrid infrastructure(www.auvergrid.fr)
- The Taiwan TWGrid infrastructure (www.twgrid.org)
- The European-Latinamerican EELA infrastructure (www.eu-eela.org)
- The mediterranean EUMedGRID infrastructure (www.eumedgrid.org)
- The European-chinese EUChinaGRID infrastructure (www.euchinagrid.org)
We gratefully acknowledge the support of BioSolveIT (www.biosolveit.de).
