Full paper
Karolina Zawadzińska1 , Bartłomiej Gostyński2 *
1Department of Organic Chemistry and Technology, Cracow University of Technology, Warszawska 24, 31-155 Cracow, Poland
2Department of Structural Chemistry, Centre of Molecular and Macromolecular Studies Polish Academy of Sciences, Sienkiewicza 112, 90-363 Łódź, Poland
Correspondence to: karolina.zawadzinska@doktorant.pk.edu.pl; bartlomiej.gostynski@cbmm.lodz.pl
Pages 25-46
https://doi.org/10.58332/scirad2023v2i1a02
Abstract
The biological activities in the field of antimicrobial application of trihalomethylated isoxazolines and isoxazolidines were investigated by means of molecular docking. In our work, we compared these two groups of heterocyclic compounds due to their strength of non-covalent binding affinity with several exemplary proteins that are known to partake in various biological processes. The obtained results show that the investigated compounds possess higher binding affinities to selected proteins than many hitherto known and applied compounds.
Keywords
isoxazolines, isoxazolidines, molecular docking, molecular dynamics, biological activity
First published: 14.02.2023