Synthesis, Characterization, Biological Evaluation and Molecular Docking Studies of New Oxoacrylate and Acetamide on heLa Cancer Cell Lines
Yazarlar (3)
Uşak Üniversitesi, Türkiye
Usak University, Türkiye
Prof. Dr. Serap YALÇIN AZARKAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | CURRENT COMPUTER-AIDED DRUG DESIGN | ||
| Dergi ISSN | 1573-4099 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2021 |
| Cilt / Sayı / Sayfa | 17 / 6 / 838–848 | DOI | 10.2174/1573409916666200907160434 |
| Makale Linki | https://www.eurekaselect.com/article/109760 | ||
| Özet |
| Background: In recent years, the discovery and development of new drugs play a critical role in cancer therapy. Objective: In this study, the effect of MPAEA and p-acetamide on cellular toxicity and on silico in HeLa cancer cells have been investigated. Methods: In this study, 2-choloro-N-(4-methoxyphenyl)acetamide (p-acetamide) and 2-(4methoxyphenylamino)-2-oxoethyl acrylate (MPAEA) have been synthesized and characterized by FTIR, H-1, and C-13-NMR. Cytotoxicity of p-acetamide and MPAEA have been investigated by XTT cell proliferation assay on the HeLa cell line. IC50 values of p-acetamide and MPAEA have been identified on the HeLa cell line. Further, a molecular docking study was carried out by Autodock Vina using BCL-2 (PDB ID: 4MAN), BCL-W (PDB ID: 2Y6W), MCl-1 (PDB ID: 5FDO) AKT (PDB ID: 4GV1) and BRAF (PDB ID: 5VAM) as a possible apoptotic target for anticancer activity. Results: According to the obtained results, MPAEA and p-acetamide were successfully synthesized and characterized. The interactions between ligands and anti-apoptotic proteins were evaluated by molecular docking, and their free energy of binding was calculated and used as a descriptor. Conclusion: In vitro and in silico, the results demonstrated that MPAEA had potent anticancer activity on the HeLa cell line. |
| Anahtar Kelimeler |
| Synthesis and characterization | antiproliferative activity | hela cell line | molecular docking | anti-apoptotic proteins | MPAEA |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| WoS | 10 |
| Google Scholar | 11 |