Synthesis, computational analyses, antibacterial and antibiofilm properties of nicotinamide derivatives
Date
Ağustos 20Author
Taşkın Kafa, Ayşe HümeyraTüzün, Gamze
Güney, Elif
Aslan, Rukiye
Sayın, Koray
Tüzün,Burak
Ataseven, Hilmi
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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.