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  • "Cílem projektu je přispět k vývoji strategie návrhu inhibitorů napodobujících sacharidy. Modelovými proteiny budou lektiny a glykosyltransferasy zapojené do infekčních a nádorových onemocnění, které budou připraveny experimentálně. Strategie bude založena na ""in silico"" metodách a bude sestávat z nalezení vhodných proteinových motivů vázajících sacharidy a popisu odpovídajících ligandů pomocí rozložení náboje a vybraných fyzikálně-chemických vlastností, zejména pKa, v kombinaci s virtuálním screeningem. Na konci roku 2015 budou k dispozici testy s vhodnými inhibitory a proteiny." (cs)
  • "The main goal of the project is to contribute to development of strategy to design glycomimetics based inhibitors. Selected lectins and glycosyltransferase connected with infection and cancer diseases will be used as model proteins, which will be prepared experimentally. The general strategy will be based on ""in silico"" methods and will be composed of searching for carbohydrate-binding protein motives combined with corresponding ligand description by atomic charge distribution and by selected physico-chemical features, namely pKa, used within virtual screening. Tests with selected inhibitors and proteins will be available before the end of 2015." (en)
Title
  • Multidisciplinary Approach to Drug Design - Inhibition of Carbohydrate Acting Proteins (en)
  • Multidisciplinární přístup k návrhu léčiv - Inhibice proteinů s návazností na cukry (cs)
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  • drug design; glycobiochemistry; lectin; glycosyltransferase; charge calculation; virtual screening (en)
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