img
Synthesis, Characterization, Biological Evaluation and Molecular Docking Studies of New Oxoacrylate and Acetamide on heLa Cancer Cell Lines     
Yazarlar
Nevin Çankaya
Uşak Üniversitesi, Türkiye
Mehmetcan İzdal
 Serap YALÇIN AZARKAN Serap YALÇIN AZARKAN
Kırşehir Ahi Evran Üniversitesi, Türkiye
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
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı CURRENT COMPUTER-AIDED DRUG DESIGN
Dergi ISSN 1573-4099
Dergi Tarandığı Indeksler SCI
Makale Dili İngilizce
Basım Tarihi 01-2021
Cilt No 17
Sayı 6
Sayfalar 838 / 848
Doi Numarası 10.2174/1573409916666200907160434
Makale Linki https://www.eurekaselect.com/article/109760