Synthesis, computational analyses, antibacterial and antibiofilm properties of nicotinamide derivatives

被引：0
作者：
Ayşe Hümeyra Taşkın Kafa
Gamze Tüzün
Elif Güney
Rukiye Aslan
Koray Sayın
Burak Tüzün
Hilmi Ataseven
机构：
[1] Cumhuriyet University,Department of Medical Microbiology, Faculty of Medicine
[2] Sivas Cumhuriyet University,Department of Chemistry, Faculty of Science
[3] Sivas Cumhuriyet University,Department of Plant and Animal Production, Technical Sciences of Sivas Vocational School
[4] Sivas Cumhuriyet University,Department of Gastroenterology, Faculty of Medicine
来源：
Structural Chemistry | 2022年 / 33卷
关键词：
Nicotinamide; Synthesis; DFT; Docking; Antibacterial studies;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Newly designed nicotinamide derivatives were synthesized and characterized using spectral techniques (IR, 1H-NMR, 13C-NMR, and MS). Moreover, these compounds are investigated computationally. B3LYP/6–31 + G(d,p) level is selected as the calculation level in this study. Experimental and calculated IR spectrum were compared to each other. Electronic properties of synthesized compounds are examined using HOMO/LUMO contour plot and MEP maps. Antibacterial activity and antibiofilm properties are investigated experimentally. Additionally, antibacterial properties of studied compounds are investigated by molecular docking analyses. As a result, ND4 was found as the best inhibitor candidate against Enterococcus faecalis.
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页码：1189 / 1197
页数：8
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