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

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


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    <subfield code="a">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.</subfield>
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    <subfield code="u">Univ Bari Aldo Moro, Dipartimento Farm Sci Farmaco, Via E Orabona 4, I-70125 Bari, Italy</subfield>
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    <subfield code="u">Ataturk Univ, Erzurum Vocat High Sch, Dept Chem &amp; Chem Proc Technol, TR-25240 Erzurum, Turkey</subfield>
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