Molecular docking and antioxidant activity studies of imidodithiocarbonate derivatives containing pyrimidine

被引：0

作者：

Korkusuz, Elif ^{[1
]}

Sert, Yusuf ^{[2
]}

Selvi, Emine Kilickaya ^{[1
]}

Aydin, Hava ^{[3
]}

Koca, Irfan ^{[4
]}

Yildirim, Ismail ^{[3
]}

机构：

[1] Kayseri Univ, Mustafa Cikrikcioglu Vocat Coll, TR-38039 Kayseri, Turkiye

[2] Yozgat Bozok Univ, Fac Arts & Sci, Dept Phys, TR-66900 Yozgat, Turkiye

[3] Erciyes Univ, Fac Sci, Dept Chem, TR-38039 Kayseri, Turkiye

[4] Yozgat Bozok Univ, Fac Arts & Sci, Dept Chem, TR-66900 Yozgat, Turkiye

来源：

ORGANIC COMMUNICATIONS | 2023年 / 16卷 / 01期

关键词：

Pyrimidine; imidodithiocarbonate; molecular docking; antioxidant activity; FRONTIER ORBITALS; OXALYL COMPOUNDS;

D O I：

10.25135/acg.oc.143.2212.2658

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

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.

引用

页码：1 / 10

页数：10

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