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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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  <dc:creator>Dogan, Hacer</dc:creator>
  <dc:creator>Bahar, Mehmet Refik</dc:creator>
  <dc:creator>Caliskan, Eray</dc:creator>
  <dc:creator>Tekin, Suat</dc:creator>
  <dc:creator>Uslu, Harun</dc:creator>
  <dc:creator>Akman, Feride</dc:creator>
  <dc:creator>Koran, Kenan</dc:creator>
  <dc:creator>Sandal, Suleyman</dc:creator>
  <dc:creator>Gorgulu, Ahmet Orhan</dc:creator>
  <dc:date>2020-01-01</dc:date>
  <dc: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.</dc:description>
  <dc:identifier>https://aperta.ulakbim.gov.trrecord/4991</dc:identifier>
  <dc:identifier>oai:zenodo.org:4991</dc:identifier>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://www.opendefinition.org/licenses/cc-by</dc:rights>
  <dc:source>JOURNAL OF BIOMOLECULAR STRUCTURE &amp; DYNAMICS</dc:source>
  <dc: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</dc:title>
  <dc:type>info:eu-repo/semantics/article</dc:type>
  <dc:type>publication-article</dc:type>
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