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Combinatorial Chemistry and Technology, Molecular Design in Croatia and Related CEE Countries – country report

Three fundamentally new technologies revolutionizing the technology and biotechnology industrial development as well as drug discovery process in the past decade i) high throughput screening, ii) combinatorial chemistry, iii) genomics, proteomics, cellomics and metabolomics. Virtual library design (focused libraries based on different filtering procedures) in combinatorial chemistry is expanding rapidly, both in terms of synthesis and screening of compound libraries in hit / lead discovery and optimisation. Molecular modeling has been introduced in PLIVA Research Institute 10 years ago. At the beginning, chemical computations had been used mainly to elucidate conformational changes in macrolide molecules observed by NMR spectroscopy. However, importance of molecular modeling becomes significant in last few years with the introduction of project organization. Customers ask for significant increase of involvement of this process in drug discovery programs. Additionally, current common desktop hardware (PC) and dedicated Windows software allow us to start systematic introduction of the most simple molecular mechanic calculations and molecular graphics to desktop computers of advanced chemists under supervision of experts from Lab for molecular design. However, it is on Lab for molecular design to continue with the bulk of such work and more complex problems of this process. Between presenting the current status of Combinatorial Chemistry and Molecular Modeling in PLIVA, an overview about present the situation in Croatia and related CEE countries will be also reported.

combinatorial chemistry; combinatorial technology

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