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3rd Edition of

Chemistry World Conference

June 14-15, 2023 | Rome, Italy

Chemistry 2022

Molecular modeling of Imidazoquinazolinedione Derivatives

Speaker at Chemistry World Conference 2022 - Karol Heclik
Rzeszow University of Technology, Poland
Title : Molecular modeling of Imidazoquinazolinedione Derivatives

Abstract:

Imidazoquinazoline derivatives have biological activities in different aspects. Therefore, they are applied as active substances in drug production. Moreover, their physical properties, for example, high decomposition temperature ~400 degree of Celsius make them  useful in thermally stable polymers production.My research with molecular modeling methods confirms the structure of imidazoquinazolinodione derivatives and explain the course of the synthesis reaction. Modeling the entire space of solutions, i.e. products of reaction of 1-phenyl-2H,6H-imidazo-[1,5-c]quinazolino-3,5-dione with sequencing moles of ethylene oxide together with appropriate transition states, allowed to clearly define and explain the directions of subsequent reactions. The used methods indicate that molecular modeling, often treated as purely theoretical, finds practical application and can sometimes be the only tool to explain the obtained experimental results.

 

Biography:

Karol H. studied at Rzeszow University of Technology, Poland and graduated as M.Sc. of IT systems and Organic synthesis. He received his PhD (Chemical sciences) as a result of research on molecular modeling. Currently, he focuses on the use of molecular modeling to predict the properties of molecules containing imidazoquinoline rings. They can be used in two different ways: as monomers for polymerization and as active substances in drug production.

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