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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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{
  "DOI": "10.1080/07391102.2020.1846621", 
  "abstract": "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.", 
  "author": [
    {
      "family": "Dogan", 
      "given": " Hacer"
    }, 
    {
      "family": "Bahar", 
      "given": " Mehmet Refik"
    }, 
    {
      "family": "Caliskan", 
      "given": " Eray"
    }, 
    {
      "family": "Tekin", 
      "given": " Suat"
    }, 
    {
      "family": "Uslu", 
      "given": " Harun"
    }, 
    {
      "family": "Akman", 
      "given": " Feride"
    }, 
    {
      "family": "Koran", 
      "given": " Kenan"
    }, 
    {
      "family": "Sandal", 
      "given": " Suleyman"
    }, 
    {
      "family": "Gorgulu", 
      "given": " Ahmet Orhan"
    }
  ], 
  "container_title": "JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS", 
  "id": "4991", 
  "issued": {
    "date-parts": [
      [
        2020, 
        1, 
        1
      ]
    ]
  }, 
  "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", 
  "type": "article-journal"
}
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