Project information
Design of Carbohydrates and Glycomimetics as Antibacterial and Antiviral Drugs
- Project Identification
- ME08008
- Project Period
- 3/2008 - 12/2012
- Investor / Pogramme / Project type
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Ministry of Education, Youth and Sports of the CR
- Programme KONTAKT (ME+MEB)
- Research and Development Programme KONTAKT (ME)
- MU Faculty or unit
- Central European Institute of Technology
- Keywords
- lectins; pathogens; biomolecular interactions; X-ray structure; docking; molecular modelling
The goals and expected results of the proposed project are directed to the field of studies on lectins from pathogens that are involved in the host cell recognition and binding, which may further result in invasion. In the first period of the research, we will focus our attention on bacterial lectins, mostly those from opportunistic pathogens, which are dangerous mainly for immunocompromised patients. In the second period, we will extend our studies also on viruses. Our goals will be not only to characterize the above interaction from the structure and function point of view, but mainly to design molecules that will “inhibit” these lectins and will, therefore, exhibit pharmacological effects. Within this direction, the main tool will be theoretical methods, essentially docking and sophisticated database search in libraries of existing compounds. Also in silico methods development within this direction will be included.
Publications
Total number of publications: 47
2012
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Computational prediction of monosaccharide binding free energies to lectins with linear interaction energy models
Journal of Computational Chemistry, year: 2012, volume: 33, edition: 29, DOI
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High resolution structure of Aleuria aurantia lectin mutant reveals the principal of increased affinity
Year: 2012, type: Conference abstract
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Characterization of lectins from opportunistic pathogens by fluorescence microscopy
Year: 2012, type: Conference abstract
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In Silico Engineering of Proteins that Recognize Small Molecules
Protein Engineering, year: 2012, number of pages: 38 s.
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In Silico Mutagenesis and Docking Study of Ralstonia solanacearum RSL Lectin: Performance of Docking Software To Predict Saccharide Binding
Journal of Chemical Information and Modeling, year: 2012, volume: 52, edition: 5, DOI
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Lektiny z Burkholderia cenocepacia - když dva (tři, čtyři) dělají totéž...
Year: 2012, type: Conference abstract
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MOLEonline 2.0: Interactive Web-based Analysis of Biomacromolecular Channels
Nucleic Acids Research, year: 2012, volume: 40, edition: W1, DOI
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Protein oligomerization in Aleuria aurantia lectin family - importance and difficulties
Materials Structure in Chemistry, Biology, Physics and Technology, year: 2012, volume: 19, edition: 1
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Rational Design and Synthesis of Optimized Glycoclusters for Multivalent Lectin-Carbohydrate Interactions: Influence of the Linker Arm
Chemistry - A European Journal, year: 2012, volume: 18, edition: 20, DOI
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SiteBinder: An improved approach for comparing multiple protein structural motifs
Journal of Chemical Information and Modeling, year: 2012, volume: 52, edition: 2, DOI