Project information
Calixarenes based glycodrugs - design, structure, antitumor and antiviral activity
- Project Identification
- IAA400200503
- Project Period
- 1/2005 - 12/2009
- Investor / Pogramme / Project type
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Academy of Sciences of the Czech Republic
- Grants of distinctly investigative character focused on the sphere of research pursued at present particularly in the ASCR
- MU Faculty or unit
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Faculty of Science
- prof. RNDr. Jaroslav Koča, DrSc.
- prof. Ing. Vladimír Křen, DrSc.
- prof. Ing. Ivan Stibor, CSc.
- Keywords
- saccharides; glycosaminoacids, saccharide recognition, glycomimetics, calix[n]arenes
New water soluble ligands will be designed. The calix[n]arene scaffold in different (semi)rigid conformations, and saccharides, glycopeptides, glykosaminoacids and glycodendrons will be used as biomolecules. Computation methods (mol. dynamics) will support rational design. Synthetic methods, supramolecular chemistry - (weak interactions in complexes) and enzymatic synthesis will be used. Ligands will be tested as follows: 1. Qualitative and quantitative study of interactions of ligands (in water) attached to scaffold as a function of their spatial orientation(s). No data of this kind are available. 2. Complexation towards external guests; co-operative binding by several units with respect to their spatial orientation. Complexes of carboxylates (sialic acids) and nitric oxides donors (carbohydrate-based) will be studied. 3. Biological activity of all compounds and complexes will be screened using e.g.: activation protein NKR-P1 of the NK-cells; pertussis toxin; N-acetylhexosaminidases.
Publications
Total number of publications: 5
2008
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Mechanism of Hydrogen Bond Array Isomerization in Tetrahydroxycalix[4]arene and Tetrahydroxythiacalix[4]arene
Journal of Physical Chemistry A, year: 2008, volume: 112, edition: 1
2007
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Partially O-Alkylated thiacalix[4]arenes: Synthesis, molecular and crystal structures, conformational behavior
Journal of Organic Chemistry, year: 2007, volume: 72, edition: 19
2006
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Effect of Solvation on Pinched Cone-Pinched Cone Interconversion of Tetraethoxycalix[4]arene and Tetraethoxythiacalix[4]arene
Journal of Physical Chemistry A, year: 2006, volume: 110, edition: 3
2005
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CHARON System - A Framework for Comfortable Grid Applications & Jobs Management
Year: 2005, type: R&D Presentation
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CHARON System - Framework for Applications and Jobs Management in Grid Environment
Cracow Grid Workshop 05, year: 2005