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High-selective design of bioactive heterocyclic systems

Work number - P 21 FILED

Submitted by State Scientific Institution “Institute for single crystals” of NAS of Ukraine

Authors: Brovarets V.S., Vovk M.V., Desenko S.M., Lesyk R.B., Lipson V.V., Obushak M.D., Chebanov V.A.

The work is aimed at the development of the modern high-selective methods for the design of structurally diverse functional heterocyclic systems with high synthetic and pharmacological potential.

In the work it was elaborated synthetic potentials of heterocyclic chemistry focused at the search of: principally new synthetic routes and organic reactions; convenient and available reagents and catalysts (a number of novel environmentally friendly, efficient and available reagents were introduced into organic practice); chemo-, regio- and stereoselective reactions; structure-property correlations; drug-like molecules directed design routes.

Novel synthetic approaches to the creation of newtypes of nitrogen- and sulfur-containing five-, six-, and seven-membered heterocyclic systems with high synthetic and pharmacological potential have been proposed, including those involving nonconventional activation techniques, as well as the existing synthetic approaches have been markedly improved. The principles of controlled high-selective organic synthesis of structurally diverse heterocycles and heterocyclic ensembles have been elaborated. A number of basic concepts of organic chemistry related to the structure and reactivity of organic compounds have been developed. A great contribution has been made into solution of the fundamental problem related to the directed functionalization of heterocyclic systems.

The practical importance of the work lies in the development and implementation of synthetic procedures for original heterocyclic compounds, novel heterocyclic systems, and heterocyclic ensembles that have a wide range of practical applications. The preparatory synthetic procedures for the series of azoles and azines “building blocks”, as well as their fused and hydrogenated derivatives have been elaborated. More than 300 systematic heterocyclic series have been synthesized (more than 100 thousands of new organic compounds have been obtained in total).

Various biological activities of new compounds have been experimentally proved, and more than 30 potential drug candidates have been identified. Some of the synthesized compounds can be used as dyes and chelating agents, fungicides and herbicides, and as organic electronics materials components.

The results of the work have been presented in 36 monographs, 47 scientific reviews, and 666 original manuscripts. Based on the research results, 118 patents have been obtained. All the publications included into the work have hindex (Scopus) of 33, and citation index of 5883. The total number publications of the authorsin Scopus database is 936, and the number of their citations is 5945.

The results of the researches related to the topic have been included into 10 doctoral and 76 PhD theses.