Morpholine-modified thiosemicarbazones and thiazolidin-4-ones against Alzheimer’s key enzymes: From synthesis to inhibition
Yazarlar (5)
Dr. Öğr. Üyesi Orhan ULUÇAY Kafkas Üniversitesi, Türkiye
Doç. Dr. Feyzi Sinan TOKALI Kafkas Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Computational Biology and Chemistry (Q1) | ||
| Dergi ISSN | 1476-9271 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2026 |
| Cilt / Sayı / Sayfa | 120 / 1 / 108683–0 | DOI | 10.1016/j.compbiolchem.2025.108683 |
| Makale Linki | https://doi.org/10.1016/j.compbiolchem.2025.108683 | ||
| Özet |
| Inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) is a key therapeutic approach in the management of Alzheimer’s disease and other neurodegenerative disorders. A novel series of phenolic Mannich base-derived thiosemicarbazones and their cyclized thiazolidin-4-one analogs incorporating morpholine moieties were synthesized and characterized. Enzyme inhibition kinetics were evaluated against AChE and BChE, with cytotoxicity assessed on the BEAS-2B cell line. The most potent inhibitors were further examined via molecular docking, MM-GBSA binding free energy decomposition, and 250 ns molecular dynamics (MD) simulations to elucidate their binding mechanisms and stability. Compounds 12 (AChE, Ki = 32.83 ± 4.45 nM) and 6 (BChE, Ki = 30.13 ± 5.78 nM) exhibited the highest inhibitory activities without notable cytotoxicity at their effective concentrations. Kinetic analyses … |
| Anahtar Kelimeler |
| AChE | Alzheimer's disease | BChE | Morpholine | Thiazolidin-4-one | Thiosemicarbazone |
Science Direct
Morpholine-modified thiosemicarbazones and thiazolidin-4-ones against Alzheimer’s key enzymes: From synthesis to inhibition
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 24 |
| Web of Science | 13 |
| Scopus | 17 |