Design, synthesis and biological evaluation of 3,5-diaryl isoxazole derivatives as potential anticancer agents

Aktaş D. A., Akinalp G., Sanli F., Yucel M. A., Gambacorta N., Nicolotti O., ...Daha Fazla

Bioorganic and Medicinal Chemistry Letters, cilt.30, sa.19, 2020 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 30 Sayı: 19
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1016/j.bmcl.2020.127427
  • Dergi Adı: Bioorganic and Medicinal Chemistry Letters
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, BIOSIS, Biotechnology Research Abstracts, CAB Abstracts, Chimica, EMBASE, MEDLINE, Veterinary Science Database
  • Anahtar Kelimeler: Anticancer agent, Isoxazole, Molecular modeling, Proliferation, Synthesis
  • Erzincan Binali Yıldırım Üniversitesi Adresli: Hayır

Özet

© 2020 Elsevier LtdThe present study was carried out in the attempt to synthesize a new class of potential anticancer agents comprising eleven compounds (24–34) sharing the 3,5-diarylisoxazole as a core. The chemical structure of the new synthesized compounds was established by IR, 1H NMR, 13C NMR and elemental analysis. Their biological potential towards prostate cancer was evaluated by using cancer PC3 cells and non-tumorigenic PNT1a cells. Interestingly, compound 26 distinguished from others with a quite high selectivity value that is comparable to 5-FU. The binding mode of 26 towards Ribosomal protein S6 kinase beta-1 (S6K1) was investigated at a molecular level of detail by employing docking simulations based on GLIDE standard precision as well as MM-GBSA calculations.