Ruthenium-Arene Complexes of Curcumin: X-Ray and Density Functional Theory Structure, Synthesis, and Spectroscopic Characterization, in Vitro Antitumor Activity, and DNA Docking Studies of (p-Cymene)Ru(curcuminato)chloro (Articolo in rivista)

Type
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  • Ruthenium-Arene Complexes of Curcumin: X-Ray and Density Functional Theory Structure, Synthesis, and Spectroscopic Characterization, in Vitro Antitumor Activity, and DNA Docking Studies of (p-Cymene)Ru(curcuminato)chloro (Articolo in rivista) (literal)
Anno
  • 2012-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jm200912j (literal)
Alternative label
  • Francesco Caruso, Miriam Rossi, Aidan Benson, Cristian Opazo, Daniel Freedman, Elena Monti, Marzia Bruna Gariboldi, Jodi Shaulky, Fabio Marchetti, Riccardo Pettinari, Claudio Pettinari (2012)
    Ruthenium-Arene Complexes of Curcumin: X-Ray and Density Functional Theory Structure, Synthesis, and Spectroscopic Characterization, in Vitro Antitumor Activity, and DNA Docking Studies of (p-Cymene)Ru(curcuminato)chloro
    in Journal of medicinal chemistry (Online)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Francesco Caruso, Miriam Rossi, Aidan Benson, Cristian Opazo, Daniel Freedman, Elena Monti, Marzia Bruna Gariboldi, Jodi Shaulky, Fabio Marchetti, Riccardo Pettinari, Claudio Pettinari (literal)
Pagina inizio
  • 1072 (literal)
Pagina fine
  • 1081 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://pubs.acs.org/doi/abs/10.1021/jm200912j (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 55 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 10 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Istituto di Chimica Biomolecolare, Consiglio Nazionale delle Ricerche, c/o University of Rome \"La Sapienza\", Istituto Chimico, Piazzale Aldo Moro 5, 00185, Rome, Italy; Vassar College, Department of Chemistry, Poughkeepsie, New York 12604, USA; Vassar College, Academic Computing Service, Poughkeepsie, New York 12604, USA; State University of New York, Department of Chemistry, New Paltz, New York 12561, USA; University of Insubria, Department of Structural and Functional Biology, Via A. da Giussano 10, 21052 Busto Arsizio, Varese, Italy; Accelrys, Inc., 10188 Telesis Court, Suite 100, San Diego, California 92121, USA; School of Science and Technology, Universita? degli Studi di Camerino, via S. Agostino 1, 62032 Camerino MC, Italy; School of Pharmacy, Universita? degli Studi di Camerino, via S. Agostino 1, 62032 Camerino MC, Italy (literal)
Titolo
  • Ruthenium-Arene Complexes of Curcumin: X-Ray and Density Functional Theory Structure, Synthesis, and Spectroscopic Characterization, in Vitro Antitumor Activity, and DNA Docking Studies of (p-Cymene)Ru(curcuminato)chloro (literal)
Abstract
  • The in vitro antiproliferative activity of the title compound on five tumor cell lines shows preference for the colon.rectal tumor HCT116, IC50 = 13.98 ìM, followed by breast MCF7 (19.58 ìM) and ovarian A2780 (23.38 ìM) cell lines; human glioblastoma U-87 and lung carcinoma A549 are less sensitive. A commercial curcumin reagent, also containing demethoxy and bis-demethoxy curcumin, was used to synthesize the title compound, and so (p-cymene)Ru(demethoxycurcuminato) chloro was also isolated and chemically characterized. The crystal structure of the title compound shows (1) the chlorine atom linking two neighboring complexes through H-bonds with two O- (hydroxyl), forming an infinite two-step network; (2) significant twist in the curcuminato, 20° between the planes of the two phenyl rings. This was also seen in the docking of the Ru-complex onto a rich guanine B-DNA decamer, where a Ru.N7(guanine) interaction is detected. This Ru.N7(guanine) interaction is also seen with ESI-MS on a Rucomplex- guanosine derivative. (literal)
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