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

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

  • Bioorg Med Chem Lett. 2020 Oct 1;30(19):127427. doi: 10.1016/j.bmcl.2020.127427.
Derya Anıl Aktaş 1,  Gökçen Akinalp 2,  Fatma Sanli 3,  Mehmet Ali Yucel 4,  Nicola Gambacorta 5,  Orazio Nicolotti 5,  Omer Faruk Karatas 3,  Oztekin Algul 6,  Serdar Burmaoglu 7
Affiliations

Affiliations

  • 1 Department of Chemistry and Chemical Process Technologies, Erzurum Vocational High School, Atatürk University, 25240 Erzurum, Turkey.
  • 2 Department of Chemistry, Faculty of Science, Atatürk University, 25240 Erzurum, Turkey.
  • 3 Department of Molecular Biology and Genetics, Erzurum Technical University, 25050 Erzurum, Turkey; Molecular Cancer Biology Laboratory, High Technology Application and Research Center, Erzurum Technical University, Erzurum, Turkey.
  • 4 Dipartimento di Farmacia-Scienze del Farmaco, Università Degli Studi di Bari "Aldo Moro", Via E. Orabona, 4, I-70125 Bari, Italy; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Mersin University, Mersin 33169, Turkey.
  • 5 Dipartimento di Farmacia-Scienze del Farmaco, Università Degli Studi di Bari "Aldo Moro", Via E. Orabona, 4, I-70125 Bari, Italy.
  • 6 Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Mersin University, Mersin 33169, Turkey. Electronic address: [email protected].
  • 7 Department of Chemistry, Faculty of Science, Atatürk University, 25240 Erzurum, Turkey. Electronic address: [email protected].
PMID: 32750679 DOI: 10.1016/j.bmcl.2020.127427
Abstract

The 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.

Keywords

Anticancer agent; Isoxazole; Molecular modeling; Proliferation; Synthesis.

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