Synthesis, molecular docking, and biological activities of new cyanopyridine derivatives containing phenylurea
Yazarlar (9)
Cumhuriyet Üniversitesi, Türkiye
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Doç. Dr. Oğuz ÖZBEK
Zonguldak Bulent Ecevit University, Türkiye
Cumhuriyet Üniversitesi, Türkiye
Bartin Üniversitesi, Türkiye
Cumhuriyet Üniversitesi, Türkiye
Prof. Dr. Yakup BUDAK
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
Tokat Gaziosmanpaşa Üniversitesi, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | Archiv Der Pharmazie |
| Dergi ISSN | 0365-6233 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q2 |
| Makale Dili | İngilizce |
| Basım Tarihi | 04-2021 |
| Cilt No | 354 |
| Sayı | 4 |
| Sayfalar | 2000334 / 0 |
| DOI Numarası | 10.1002/ardp.202000334 |
| Makale Linki | http://dx.doi.org/10.1002/ardp.202000334 |
| Özet |
| A new class of cyanopyridine derivatives (10a–e and 11a–e) containing the phenylurea unit was synthesized and tested against some metabolic enzymes including acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and α-glycosidase (α-Gly). The new cyanopyridine derivatives showed Ki values in the range of 40.73 ± 6.54 to 87.05 ± 16.98 µM against AChE, 29.17 ± 4.88 to 124.03 ± 22.43 µM against BChE, and 3.66 ± 0.93 to 26.33 ± 5.05 µM against α-Gly. These inhibition effects were compared with standard enzyme inhibitors like tacrine (for AChE and BChE) and acarbose (for α-Gly). Also, these cyanopyridine derivatives with the best inhibition score were docked into the active site of the indicated metabolic enzymes. Finally, molecular docking calculations were made to compare the biological activities of the compounds against AChE (−8.81 kcal/mol for molecule 11d), BChE (−3.52 kcal/mol for molecule 11d), and α-Gly (−2.98 kcal/mol for molecule 11a). After molecular docking calculations, the ADME/T analysis was performed to examine the future drug use properties of the new cyanopyridine derivatives containing phenylurea. |
| Anahtar Kelimeler |
| acetylcholinesterase | carbonic anhydrase | chalcone | cyanopyridine | molecular docking |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 29 |
| SCOPUS | 31 |
| Google Scholar | 36 |