Molecular docking and antioxidant activity studies of imidodithiocarbonate derivatives containing pyrimidine

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 u...

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Published inOrganic communications Vol. 16; no. 1; pp. 1 - 10
Main Authors Korkusuz, Elif, Sert, Yusuf, Kılıçkaya Selvi, Emine, Aydın, Hava, Koca, İrfan, Yıldırım, İsmail
Format Journal Article
LanguageEnglish
Published Gebze ACG Publications 01.01.2023
Subjects
Acids
Antioxidants
Chemical analysis
Chemical synthesis
Enzymes
Free radicals
Magnetic resonance spectroscopy
Molecular docking
NMR
NMR spectroscopy
Nuclear magnetic resonance
Prevention
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Summary: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.
ISSN:1307-6175
1307-6175
DOI:10.25135/acg.oc.143.2212.2658