New carbazol derivatives containing 1,2,4-triazole: Synthesis, characterization, DFT study, acetylcholinesterase activity and docking study

被引：2

作者：

Unver, Yasemin ^{[1
]}

Suleymanoglu, Nevin ^{[2
]}

Ustabas, Resat ^{[3
]}

Guler, Halil Ibrahim ^{[4
]}

Bektas, Ersan ^{[5
]}

Bektas, Kadriye Inan ^{[4
]}

Celik, Fatih ^{[1
]}

机构：

[1] Karadeniz Tech Univ, Fac Sci, Dept Chem, TR-61080 Trabzon, Turkey

[2] Gazi Univ, Grad Sch Nat & Appl Sci Adv Technol, TR-06500 Ankara, Turkey

[3] Ondokuz Mayis Univ, Educ Fac, Dept Math & Sci Educ, TR-55139 Kurupelit, Turkey

[4] Karadeniz Tech Univ, Dept Mol Biol & Genet, Fac Sci, TR-61080 Trabzon, Turkey

[5] Giresun Univ, Espiye Vocat Sch, TR-26800 Giresun, Turkey

来源：

JOURNAL OF THE INDIAN CHEMICAL SOCIETY | 2022年 / 99卷 / 10期

关键词：

Carbazol; Triazole; Synthesis; DFT; Acetylcholinesterase activity; Molecular docking study; BIOLOGICAL-PROPERTIES; MOLECULAR DOCKING; ANTIOXIDANT; ENERGY; AMINO; NMR;

D O I：

10.1016/j.jics.2022.100690

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Carbazol derivatives, 4-(((9-ethyl-9H-carbazol-3-yl)methylene)amino)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-one (3) and 5-benzyl-4-(((9-ethyl-9H-carbazol-3-yl) methylene) amino)-2,4-dihydro-3H-1,2,4-triazole-3-one (4), were synthesized. Compounds 3 and 4 were characterized by The Fourier transform infrared (FTIR), pro-ton and carbon-13 nuclear magnetic resonance (1H-and 13C-NMR) spectroscopic methods. Density Functional Theory (DFT) calculations for compounds 3 and 4 were performed at B3LYP/6-311++G(d,p) level. Optimized geometry, IR and NMR parameters of compounds 3 and 4 were obtained. The in vitro anti-acetylcholinesterase activity of the compounds were examinated. In addition, Compounds 3 and 4 were tested to determine possible interactions against human acetylcholinesterase by in silico analysis.

引用

页数：9

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