| Yazarlar (4) |
Ceyhun Küçük
Zonguldak Bülent Ecevit Üniversitesi, Türkiye |
Doç. Dr. Sibel ÇELİK
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
Şenay Yurdakul
Türkiye |
Dr. Öğr. Üyesi Ebru ÇÖTELİ
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| We report the synthesis and characterization of a new silver complex of 5-chloroquinolin-8-ol ([Ag(C9H5ClNO)2NO3]). The Ag(I) complex was characterized using elemental analysis and various spectral techniques such as Fourier-transform infrared (FT-IR), 1H nuclear magnetic resonance (NMR), and ultraviolet–visible (UV-Vis) spectra. Structural features and intramolecular interactions have been investigated with quantum mechanical calculations using density functional theory (DFT) calculations. Frontier molecular orbital energies revealed an energy band gap of 1.08 eV, indicating that there is charge transfer within the molecule. In experimentally recorded UV-Vis spectra, electronic transitions demonstrated the ability to conduct charges. We conducted topological analyses such as electron localization function (ELF), localized orbital locator (LOL), quantum theory of atoms in molecules (QTAIM), and reduced density gradient (RDG) to identify the van der Waals interaction and steric effect, and also forecasted global reactivity parameters and Fukui functions. Natural bond orbital (NBO) analysis detects charge transfer, hydrogen bonding, and hyperconjugative interactions that stabilize the structure. This work assessed the title complex's in vitro antioxidant and antidiabetic properties. The scavenging effect of the complex on both radicals was observed. In particular, it was determined that the DPPH• radical-scavenging effect was greater than the ABTS•+ radical. Additionally, in the determination of antidiabetic activity, α-glucosidase enzyme activity was found to be higher than α-amylase enzyme activity. The in vitro potential was validated utilizing molecular docking investigations against target receptors. |
| Anahtar Kelimeler |
| 5-Chloroquinolin-8-ol | Antidiabetic | Antioxidant | DFT | Molecular docking | QTAIM |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Journal of Molecular Structure |
| Dergi ISSN | 0022-2860 |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 03-2025 |
| Cilt No | 1325 |
| Sayı | 141285 |
| Doi Numarası | 10.1016/j.molstruc.2024.141285 |
| Makale Linki | https://doi.org/10.1016/j.molstruc.2024.141285 |
