Molecular docking and antioxidant activity studies of imidodithiocarbonate derivatives containing pyrimidine

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KORKUSUZ E., SERT Y., KILIÇKAYA SELVİ E., Aydin H., KOCA İ., YILDIRIM İ.

ORGANIC COMMUNICATIONS, cilt.16, sa.1, ss.1-10, 2023 (ESCI) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 16 Sayı: 1
  • Basım Tarihi: 2023
  • Doi Numarası: 10.25135/acg.oc.143.2212.2658
  • Dergi Adı: ORGANIC COMMUNICATIONS
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus, Academic Search Premier, TR DİZİN (ULAKBİM)
  • Sayfa Sayıları: ss.1-10
  • Anahtar Kelimeler: Pyrimidine, imidodithiocarbonate, molecular docking, antioxidant activity, FRONTIER ORBITALS, OXALYL COMPOUNDS
  • Kayseri Üniversitesi Adresli: Evet

Özet

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 (1,1diphenyl-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.