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Molecular docking and antioxidant activity studies of imidodithiocarbonate derivatives containing pyrimidine

Original Article

JOURNAL 2658

Organic Communications
VOLUME & ISSUE
Year: 2023 Issue: 1 January-March
PAGES
p.1 - 10
DOI ADDRESS
http://doi.org/10.25135/acg.oc.143.2212.2658
STATISTICS
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AUTHORS
  • Elif Korkusuz
  • Yusuf Sert
  • Emine Kılıçkaya Selvi
  • Hava Aydın
  • İrfan Koca
  • İsmail Yıldırım
PDF OF ARTICLE

GRAPHICAL ABSTRACT

ABSTRACT

Imidodithiocarbonate derivatives containing pyrimidine ring, potentially functional molecules were synthesized and characterized. FTIR, 1H NMR and 13C NMR spectroscopy and elemental analysis methods were used for characterization. The obtained compounds were screened for their antioxidant capacity using DPPH (1,1-diphenyl-2-picrylhydraziyl) free radical-scaving and ABTS (2,2’-azino-bis(3-ethylbenzothiazoline-6-sulphonicacid) assays. The possible interactions between the molecular docking calculations of the synthesized imidodithiocarbonate derivatives and their binding potentials to the active sites of target enzymes.

 KEYWORDS
  • Pyrimidine
  • imidodithiocarbonate
  • molecular docking
  • antioxidant activity

SUPPORTING INFORMATION

Supporting Information
Download File A1-143-OC-2212-2658-SI.pdf (443.19 KB)