img
New silver(I) complex as antibiotic candidate: Synthesis, spectral characterization, DFT, QTAIM and antibacterial investigations and docking properties     
Yazarlar
Sibel Çelik
Senay Yurdakul
Prof. Dr. Belgin ERDEM
Kırşehir Ahi Evran Üniversitesi, Türkiye
Özet
In the present work, a newly synthesized silver(I) complex was characterized using elemental analysis, UV–Vis spectroscopy, and infrared spectroscopy. DFT calculations at the B3LYP/LANL2DZ level were used to investigate structural, electronic, and spectroscopic properties. The intermolecular interactions in the structure were analyzed by topological AIM, RDG, and NBO approaches. Compound [Ag(4-pyridinecarboxaldehyde)4]NO3 proved to be the most active compound in this study and showed the highest antibacterial activity against S. aureus ATCC 29,213, S. epidermidis ATCC 35,984 and P. aeruginosa ATCC 27,853. Test compound was examined for antiquorum-sensing activity against C. violaceum ATCC 12,472 and title compound exhibited good antiquorum-sensing activity. In addition, these compound activity relationships were further supported by in-silico molecular docking studies where some of the active title compound showed maximum dock score.
Anahtar Kelimeler
4-pyridinecarboxaldehyde | AIM | Antibacterial | Antiquorum-sensing | DFT | Molecular docking
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Elsevier BV
Dergi ISSN 0022-2860
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q3
Makale Dili İngilizce
Basım Tarihi 08-2022
Cilt No 1261
Sayı 1
Sayfalar 132902 / 0
Doi Numarası 10.1016/j.molstruc.2022.132902
Makale Linki http://dx.doi.org/10.1016/j.molstruc.2022.132902