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

Taşkın Kafa A. H., Tuzun G., Guney E., Aslan R., Sayın K., Tüzün B., ...Daha Fazla

STRUCTURAL CHEMISTRY, cilt.33, ss.1189-1197, 2022 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 33
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1007/s11224-022-01927-x
  • Dergi Adı: STRUCTURAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chimica, INSPEC
  • Sayfa Sayıları: ss.1189-1197
  • Anahtar Kelimeler: Nicotinamide, Synthesis, DFT, Docking, Antibacterial studies, STRATEGY
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

Newly designed nicotinamide derivatives were synthesized and characterized using spectral techniques (IR, H-1-NMR, C-13-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.