Dergi makalesi Açık Erişim

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

2020    Aktas, Derya Anil; Akinalp, Gokcen; Sanli, Fatma; Yucel, Mehmet Ali; Gambacorta, Nicola; Nicolotti, Orazio; Karatas, Omer Faruk; Algul, Oztekin; Burmaoglu, Serdar

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, H-1 NMR, C-13 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.