| Yazarlar (3) |
Verda Çoban
|
|
Nevin Çankaya
Türkiye |
Prof. Dr. Serap YALÇIN AZARKAN
Kırşehir Ahi Evran Üniversitesi, Türkiye |
| Özet |
| The compounds 2-chloro-N-(3-methoxyphenyl)acetamide (m-acetamide) and 2-(3-methoxyphenylamino)-2-oxoethyl methacrylate (3MPAEMA) were synthesized in this study for the first time in the literature. FTIR, H, and C NMR spectroscopic techniques were used to characterize it. Subsequently, computational techniques were used to assess various ADME factors, such as drug-likeness properties, bioavailability score, and adherence to Lipinski's rule. Finally, molecular docking experiments were conducted with the human topoisomerase α2 (TOP2A) protein to verify and validate the reliability and stability of the docking procedure. The results of the docking scores, which quantify binding affinity, indicated that these derivatives exhibited a stronger affinity for TOP2A. |
| Anahtar Kelimeler |
| Synthesis | characterization | molecular docking | ADME | drug-likeness |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | Drug and Chemical Toxicology |
| Dergi ISSN | 0148-0545 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q3 |
| Makale Dili | Türkçe |
| Basım Tarihi | 05-2024 |
| Cilt No | 47 |
| Sayı | 6 |
| Sayfalar | 1175 / 1184 |
| Doi Numarası | 10.1080/01480545.2024.2349651 |
| Makale Linki | http://dx.doi.org/10.1080/01480545.2024.2349651 |
| Atıf Sayıları |
