The synthesis of those new derivatives of 3-allyl-4-(R-phenyl)-N-(R1-phenyl)-thiazole-2-imine was conducted which consist substituted aromatic radicals. Structure of the compounds synthesized has proved by means of a comprehensive use of modern physical and chemical methods of analysis. In silico research has been conducted of the potential molecular mechanisms of cardioprotective action of the obtained substances with the method of a soft molecular docking, and recommendations to the rational design of the ligands have been made.
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