Synthesis, Molecular Docking and ASynthesis, Molecular Docking and Antioxidation Activities of Novel PyrimidineDithiocarbonimidate Hybrintioxidation Activities of Novel PyrimidineDithiocarbonimidate Hybri

Korkusuz E., Sert Y., Kılıçkaya Selvi E., Aydın H., Koca İ., Yıldırım İ.

7th International Mediterranean Science and Engineering Congress, Antalya, Turkey, 24 - 26 October 2022, pp.54

  • Publication Type: Conference Paper / Summary Text
  • City: Antalya
  • Country: Turkey
  • Page Numbers: pp.54
  • Kayseri University Affiliated: Yes


: Recently, the design and synthesis of bioactive compounds in the field of chemistry have created important applications and gains in medicine and pharmaceutical industries. Sulfur-containing dithiocarbonimidates or dithioimidocarbonates, which have an important place among organic molecules, show pharmacological activities. These compounds are a class of stable compounds that play an important role in S-containing molecules. Organic dithiocarbonimidates or dithioimidocarbonates are widely used in agrochemicals, pharmaceuticals, intermediates in organic synthesis, radical precursors in free radical chemistry and photochemistry, catalysis and polymerization reactions in sulfur vulcanization of rubber. Moreover, carbamate derivatives or dithioimidocarbonates require investigation of medicinal and biological properties (antibacterial, anthelminic, fungicidal, herbicidal, growth-reducing). In view of these important properties, we decided to extend our investigations related to preparing new heterocycles, which include the pyrimidine ring in their structure. In this study, we reported the synthesis of new pyrimidine-dithiocarbamates from reactions of compounds 3 and Propargyl bromide in presence of CS2 . Antioxidant capacities of compounds synthesized within the scope of antioxidant experiments were determined spectrophotometrically using DPPH• and ABTS• methods and Gaussian, Autudock Vina etc. The potential to become a drug was also investigated with the programs. The structures of all new synthesized heterocyclic compounds are confirmed by spectroscopic and elemental analyses.