A novel series of thiosemicarbazone hybrid scaffolds: Design, synthesis, DFT studies, metabolic enzyme inhibition properties, and molecular docking calculations
Yazarlar (7)
Doç. Dr. Hasan Yakan Ondokuz Mayıs Üniversitesi, Türkiye
Prof. Dr. Halit MUĞLU Kastamonu Üniversitesi, Türkiye
Prof. Dr. Cüneyt Türkeş Erzincan Binali Yıldırım Üniversitesi, Türkiye
Prof. Dr. Yeliz Demir Ardahan Üniversitesi, Türkiye
Musa Erdoğan Kafkas Üniversitesi, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
Prof. Dr. 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 | Türkçe | Basım Tarihi | 05-2023 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-05-2023 |
| 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 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
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| 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 | |
| Web of Science | 48 |
| Scopus | 53 |
| Google Scholar | 60 |