A novel series of thiosemicarbazone hybrid scaffolds: Design, synthesis, DFT studies, metabolic enzyme inhibition properties, and molecular docking calculations
Yazarlar (7)
Hasan Yakan Ondokuz Mayis Üniversitesi, Türkiye
Halit Muğlu Kastamonu University, Türkiye
Cüneyt Türkeş Erzincan Binali Yıldırım Üniversitesi, Türkiye
Yeliz Demir Ardahan Üniversitesi, Türkiye
Doç. Dr. Musa ERDOĞAN Kafkas Üniversitesi, Türkiye
Muhammet Serdar Çavuş Kastamonu University, Türkiye
Şükrü Beydemir Anadolu Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q2) | ||
| Dergi ISSN | 0022-2860 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2023 |
| Cilt / Sayı / Sayfa | 1280 / 1 / 135077–0 | DOI | 10.1016/j.molstruc.2023.135077 |
| Makale Linki | http://dx.doi.org/10.1016/j.molstruc.2023.135077 | ||
| Özet |
| The fourteen new thiosemicarbazone derivatives of Schiff base were synthesized from the condensation reactions of two different aldehydes (3‑hydroxy-4-methoxhybenzaldehyde and 3-ethoxhy-4-hydroxybenzaldehyde) with various substituted-thiosemicarbazides. Structures of the compounds (1-14) were characterized by using FT-IR, 1H NMR, and 13C NMR spectroscopic techniques, and elemental analysis. Furthermore, the enzyme inhibitory effect of the obtained hybrid scaffolds was studied. They exhibited highly potent inhibition effect on acetylcholinesterase (AChE) and carbonic anhydrases (hCAs) (KI values are in the range of 111.00 ± 12.12 to 381.60 ± 38.10 nM, 120.60 ± 20.45 to 338.90 ± 42.18 nM, and 100.60 ± 11.31 to 285.30 ± 45.27 nM for AChE, hCA I, and hCA II, respectively). DFT analyzes were performed to demonstrate the usability of some electronic parameters and nucleophilic-electrophilic … |
| Anahtar Kelimeler |
| DFT | Enzyme inhibition | Isothiocyanates | Molecular docking | Schiff base condensation | Thiosemicarbazones |
Science Direct
A novel series of thiosemicarbazone hybrid scaffolds: Design, synthesis, DFT studies, metabolic enzyme inhibition properties, and molecular docking calculations
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| SCOPUS | 51 |
| Google Scholar | 56 |