Cel This project will advance the state of the art in virtual drug screening by developing novel spherical harmonic-based consensus clustering algorithms. The main disease that will be targeted in this project is the acquired immune deficiency syndrome (AIDS), caused by the human immuno-deficiency virus (HIV). However, the approach will be quite generic and will be broadly applicable to many other diseases. The approach will be tested and validated using 40 well-known drug targets from the DUD dataset. It will then be used to screen the French Chimiothèque Nationale library of some 36000 compounds for novel ligands which will bind the CCR5 co-receptor and hence block HIV infection. A small list of candidate entry-blocking compounds will be sent to Barcelona for experimental testing. By extending the SH-based consensus clustering technique, this project will provide a generic tool to help deal with cases where multiple ligands may be associated with multiple pocket sub-sites or which may bind multiple targets, and it will help to find new HIV entry-blocking compounds. Dziedzina nauki natural sciencesbiological sciencesmicrobiologyvirologymedical and health scienceshealth sciencesinfectious diseasesRNA virusesHIV Program(-y) FP7-PEOPLE - Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013) Temat(-y) FP7-PEOPLE-2009-IEF - Marie Curie Action: "Intra-European Fellowships for Career Development" Zaproszenie do składania wniosków FP7-PEOPLE-2009-IEF Zobacz inne projekty w ramach tego zaproszenia System finansowania MC-IEF - Intra-European Fellowships (IEF) Koordynator INSTITUT NATIONAL DE RECHERCHE EN INFORMATIQUE ET AUTOMATIQUE Wkład UE € 166 462,40 Adres DOMAINE DE VOLUCEAU ROCQUENCOURT 78153 Le Chesnay Cedex Francja Zobacz na mapie Region Ile-de-France Ile-de-France Yvelines Rodzaj działalności Research Organisations Kontakt administracyjny Elisabeth Moine (Ms.) Linki Kontakt z organizacją Opens in new window Strona internetowa Opens in new window Koszt całkowity Brak danych
