Synthesis, computational analyses, antibacterial and antibiofilm properties of nicotinamide derivatives
Tarih
Ağustos 20Yazar
Taşkın Kafa, Ayşe HümeyraTüzün, Gamze
Güney, Elif
Aslan, Rukiye
Sayın, Koray
Tüzün,Burak
Ataseven, Hilmi
Üst veri
Tüm öğe kaydını gösterÖzet
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.