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Synthesis and spectroscopic characterizations of hexakis[(1-(4 '-oxyphenyl)-3-(substituted-phenyl)prop-2-en-1-one)]cyclotriphosphazenes: their in vitro cytotoxic activity, theoretical analysis and molecular docking studies

Dogan, Hacer; Bahar, Mehmet Refik; Caliskan, Eray; Tekin, Suat; Uslu, Harun; Akman, Feride; Koran, Kenan; Sandal, Suleyman; Gorgulu, Ahmet Orhan


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    "creators": [
      {
        "affiliation": "Firat Univ, Fac Sci, Dept Chem, Elazig, Turkey", 
        "name": "Dogan, Hacer"
      }, 
      {
        "affiliation": "Inonu Univ, Fac Med, Physiol Dept, Malatya, Turkey", 
        "name": "Bahar, Mehmet Refik"
      }, 
      {
        "affiliation": "Bingol Univ, Fac Sci, Dept Chem, Bingol, Turkey", 
        "name": "Caliskan, Eray"
      }, 
      {
        "affiliation": "Inonu Univ, Fac Med, Physiol Dept, Malatya, Turkey", 
        "name": "Tekin, Suat"
      }, 
      {
        "affiliation": "Firat Univ, Vocat Sch Hlth Serv, Dept Anesthesiol, Elazig, Turkey", 
        "name": "Uslu, Harun"
      }, 
      {
        "affiliation": "Bingol Univ, Vocat Sch Tech Sci, Bingol, Turkey", 
        "name": "Akman, Feride"
      }, 
      {
        "affiliation": "Firat Univ, Karakocan Voc Sch, Dept Food Proc, TR-23600 Elazig, Turkey", 
        "name": "Koran, Kenan"
      }, 
      {
        "affiliation": "Inonu Univ, Fac Med, Physiol Dept, Malatya, Turkey", 
        "name": "Sandal, Suleyman"
      }, 
      {
        "affiliation": "Firat Univ, Fac Sci, Dept Chem, Elazig, Turkey", 
        "name": "Gorgulu, Ahmet Orhan"
      }
    ], 
    "description": "The hexachlorocyclotriphosphaze compound (N3P3Cl6, HCCP) was reacted with excess (E)-(1-(4 '-oxyphenyl)-3-(substituted-phenyl)prop-2-en-1-ones (2-11) to produce hexakis[(1-(4-oxyphenyl)-3-(substituted-phenyl)prop-2-en-1-one)]cyclotriphosphazenes (CP 2-11). The structures of products (CP 2-11) were confirmed using elemental analysis, FT-IR, MS spectral analysis as well as P-31, H-1 and C-13-APT NMR techniques and their thermal properties determined by TGA and DSC techniques. The HOMO-LUMO energy gap and chemical reactivity identifiers were calculated and HOMO and LUMO images were viewed. According to the calculations, all the chemical potential values of CP 2-11 are negative and it shown that the molecules are stable. The in vitro cytotoxic of CP 2-11 investigated and their activity potentials were evaluated by molecular docking studies with Autodock Vina softwares. CP 2-11 compounds were found to demonstrate cytotoxic activity against human cancer cell lines (A2780, LNCaP and PC-3). The CP 2-11 compounds reduced the cell viability against all cancer cell lines in the range 36%-90% especially. The results showed that these compounds are powerful candidate molecules for pharmaceutical applications.", 
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    "title": "Synthesis and spectroscopic characterizations of hexakis[(1-(4 '-oxyphenyl)-3-(substituted-phenyl)prop-2-en-1-one)]cyclotriphosphazenes: their in vitro cytotoxic activity, theoretical analysis and molecular docking studies"
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