Projects / Programmes source: ARIS

Characterization of ligand-receptor interactions

Research activity

Code Science Field Subfield
1.04.00  Natural sciences and mathematics  Chemistry   

Code Science Field
P351  Natural sciences and mathematics  Structure chemistry 
non-covalent interactions, NMR spectroscopy, laser tweezers, screening, fragment-based design
Evaluation (rules)
source: COBISS
Researchers (11)
no. Code Name and surname Research area Role Period No. of publicationsNo. of publications
1.  09899  PhD Franc Avbelj  Chemistry  Researcher  2008 - 2011  72 
2.  16104  PhD Apolonija Bedina Zavec  Biotechnology  Researcher  2010 - 2011  143 
3.  29492  PhD Martina Glušič  Chemistry  Junior researcher  2008 - 2011 
4.  08329  PhD Simona Golič Grdadolnik  Chemistry  Head  2008 - 2011  297 
5.  08523  PhD Jože Grdadolnik  Chemistry  Researcher  2008 - 2011  252 
6.  26055  PhD Gorazd Hribar  Biochemistry and molecular biology  Researcher  2010 - 2011  49 
7.  23123  MSc Tatjana Milunović  Biotechnology  Researcher  2010 - 2011  28 
8.  28554  PhD Mihael Simčič  Pharmacy  Junior researcher  2008 - 2011  26 
9.  21557  PhD Tjaša Urbič  Chemistry  Junior researcher  2008 
10.  30852  Vladimir Vajda  Pharmacy  Junior researcher  2009 
11.  06033  Silva Zagorc    Technical associate  2009 - 2011 
Organisations (1)
no. Code Research organisation City Registration number No. of publicationsNo. of publications
1.  0104  National Institute of Chemistry  Ljubljana  5051592000  21,257 
Experimental methodology for investigation of ligand-receptor interactions based on high-resolution nuclear magnetic resonance (NMR) and molecular force spectroscopy will be implemented and developed. In particular generally appearing problems of large molecular weight of the protein target and low solubility of ligands in aqueous solution will be considered. Development of experimental methodology will be focused on determination of experimental parameters, which allow identification of ligand binding to protein targets and quantitative determination of non-covalent interactions in formation of ligand-receptor complexes. Precise identification of ligand binding is crucial for effective screening approaches. Knowledge of nature and energetics of non-covalent interactions between the ligand and receptor functional groups offers essential information for rational drug design and improvement of theoretical algorithms for investigation of drug-receptor complexes.
Significance for science
Results of project contribute to understanding of ligand-receptor interactions, which are ubiquitously essential in biological processes and have also important applications in biotechnology. The low energy level of biological processes is a consequence of non-covalent interactions between molecules. The nature and energetics of those non-covalent interactions are still poorly understood. The accurate assessment of ligand-receptor interactions contributes to development of structure prediction algorithms for modelling bio-molecular systems like ligand-receptor and enzyme-substrate complexes, which will improve the existent drug-design methodologies. The current drug-design algorithms are largely unsuccessful due to the approximations imposed by the simple "lock and key" model of drug action, which are not considering the conformational changes imposed by the interactions of receptor and ligand molecules. The detailed knowledge of ligand-receptor interactions is important for understanding the function and activity of variety of biological systems and can significantly contribute to the research in other fields, as are biology, medicine and pharmacy.
Significance for the country
Project is based on the collaboration of researchers from the institute, university and industry and is harmonized with the National Research and Development Project. New more efficient approaches for drug discovery can accelerate the development of new drugs against human diseases and can reduce the cost of development of new drugs. Therefore these approaches can be useful also for the Slovenian pharmaceutical industry. Implemented methodology is used for realization of actual industrial projects. Results are published in the world recognized top scientific journals and promote Slovenian science in the world. Young researchers (Ph. D students) are part of the research team and are able to gain general knowledge of high-resolution NMR spectroscopy, molecular modelling and the rational drug design methodologies. They gain important knowledge required for realization of basic research project as well as development project in pharmaceutical industry. They collaborate with researchers from university and industry and obtain various perspectives for their future employment.
Most important scientific results Annual report 2008, 2009, final report, complete report on dLib.si
Most important socioeconomically and culturally relevant results Annual report 2008, 2009, final report, complete report on dLib.si
Views history