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
2010
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Current technological background assigned for the crystallography of proteins in National Centre for Biomolecular Research
Year: 2010, type: Conference abstract
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High-affinity lectins from pathogens: the potential targets for antiadhesive drug design
Materials Structure in Chemistry, Biology, Physics and Technology, year: 2010, volume: 17, edition: 1a
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In silico mutagenesis and docking study of RSL lectin
Year: 2010, type: Conference abstract
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Interaction between Bacterial Lectins and Host Carbohydrates: Strategies for High Affinity Binding
Year: 2010, type: Conference abstract
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Lectins from Burkholderia cenocepacia - potential virulence factors
Year: 2010, type: Conference abstract
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Novel lectins from Aspergillus fumigatus
Year: 2010, type: Conference abstract
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Proteiny Aspergillus fumigatus zapojené do interakce s hostitelem
Chemické listy, year: 2010, volume: 104, edition: 5
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Recognition of selected monosaccharides by Pseudomonas aeruginosa Lectin II analyzed by molecular dynamics and free energy calculations
2009
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Burkholderia cenocepacia lectin D - protein of two faces?
Year: 2009, type: Conference abstract
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Electronegativity Equalization Method - Fast Method For Charge Calculation
Year: 2009, type: Conference abstract