Antiproliferative activity and interaction with proteins of N-cyclohexylacrylamide

ÇANKAYA N., Yalçin S.

Saudi Journal of Biological Sciences, cilt.29, sa.11, 2022 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 29 Sayı: 11
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1016/j.sjbs.2020.04.030
  • Dergi Adı: Saudi Journal of Biological Sciences
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, CAB Abstracts, Directory of Open Access Journals
  • Anahtar Kelimeler: Anti-apoptotic proteins, Antiproliferative activity, HeLa cell line, Molecular docking, N-cyclohexylacrylamide
  • Uşak Üniversitesi Adresli: Evet

Özet

N-cyclohexylacrylamıde (NCA), the synthesized compound, was evaluated for their cytotoxic activities against HeLa cancer cell line. Also, the current study has been analyzed by the use of molecular docking as protein-ligand interactions play a vital role in drug design. The docking study of NCA was performed with BCL-2, BCL-W, MCl-1, AKT, BRAF, CDK2, VEGFR, EGFR PARP1, CDK6 proteins. The 3D structures of proteins were obtained from the protein data bank and 3D structure of NCA compounds using GAUSSIAN. The in silico molecular docking results indicated that NCA compound can inhibit cancer-related proteins and can play a role as potential lead compounds for developing new drugs for cancer therapy with chemical modification.