New Anthranilic Acid Hydrazones as Fenamate Isosteres: Synthesis, Characterization, Molecular Docking, Dynamics & in silico ADME, in vitro Anti‐inflammatory and Anti‐cancer Activity Studies
Yazarlar (4)
Bezm-İ Âlem Vakıf Üniversitesi, Türkiye
Türkiye
Türkiye
Doç. Dr. Feyzi Sinan TOKALI
Kafkas Üniversitesi, Türkiye
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | Chemistry & Biodiversity |
| Dergi ISSN | 1612-1880 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q3 |
| Makale Dili | İngilizce |
| Basım Tarihi | 06-2023 |
| Cilt No | 20 |
| Sayı | 8 |
| Sayfalar | 1 / 16 |
| DOI Numarası | 10.1002/cbdv.202300773 |
| Makale Linki | http://dx.doi.org/10.1002/cbdv.202300773 |
| Özet |
| In this study, twenty new anthranilic acid hydrazones 6-9 (a-e) were synthesized and their structures were characterized by Fourier-transform Infrared (FT-IR), Nuclear Magnetic Resonance ( H-NMR - C-NMR), and High-resolution Mass Spectroscopy (HR-MS). The inhibitory effects of the compounds against COX-II were evaluated. IC values of the compounds were found in the range of >200-0.32 μM and compounds 6e, 8d, 8e, 9b, 9c, and 9e were determined to be the most effective inhibitors. Cytotoxic effects of the most potent compounds were investigated against human hepatoblastoma (Hep-G2) and human healthy embryonic kidney (Hek-293) cell lines. Doxorubicin (IC : 8.68±0.16 μM for Hep-G2, 55.29±0.56 μM for Hek-293) was used as standard. 8e is the most active compound, with low IC against Hep-G2 (4.80±0.04 μM), high against Hek-293 (159.30±3.12), and high selectivity (33.15). Finally, molecular docking and dynamics studies were performed to understand ligand-protein interactions between the most potent compounds and COX II, Epidermal Growth Factor Receptor (EGFR), and Transforming Growth Factor beta II (TGF-βII). The docking scores were calculated in the range of -10.609--6.705 kcal/mol for COX-II, -8.652--7.743 kcal/mol for EGFR, and -10.708--8.596 kcal/mol for TGF-βII. |
| Anahtar Kelimeler |
| ADME | anti-cancer | anti-inflammatory | molecular docking | molecular dynamics |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 36 |