title: New 7-azaindole palladium and platinum complexes: crystal structures and theoretical calculations. In vitro anticancer activity of the platinum compounds.
abstract: A series of new 7-azaindolyl palladium and platinum complexes have been prepared. The X-ray structure determinations of [NBu(4)][M(C(6)F(5))(2)(Haza-N7)(aza-N1)].Haza [M = Pd, Pt; aza = 7-azaindolate (lH-pyrrolo[2,3-b]pyridinate)] have established for the first time the coordination to the same metal centre of both neutral and anionic forms of the ligand. Theoretical calculations at the mPW1B95/aug6-31G**/StRSCecp level show that both kinetic and thermodynamic arguments support the observed coordination and H-bonding interaction of the pyrrolo and pyridine moieties of the neutral and deprotonated heterocyclic ligands. At 48 h incubation time the new platinum complex [Pt(dmba)(aza-N1)(DMSO)] (dmba = N,N-dimethylbenzylamine-kappaN,kappaC) shows sub-micromolar activity both in A2780 and T47D [IC(50) (microM) = 0.34 and 0.53, respectively]. The DNA adduct formation of the new platinum complexes was followed by circular dichroism and electrophoretic mobility.
authors.affiliation: Departamento de Química Inorgánica, Facultad de Química, Universidad de Murcia, 30071, Murcia, Spain. jruiz@um.es
authors.forename: José
authors.initials: J
authors.lastname: Ruiz
authors.forename: Venancio
authors.initials: V
authors.lastname: Rodríguez
authors.forename: Concepción
authors.initials: C
authors.lastname: de Haro
authors.forename: Arturo
authors.initials: A
authors.lastname: Espinosa
authors.forename: José
authors.initials: J
authors.lastname: Pérez
authors.forename: Christoph
authors.initials: C
authors.lastname: Janiak
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000633:toxicity; D045744:Cell Line, Tumor; D002942:Circular Dichroism; D056831:Coordination Complexes / Q000138:chemical synthesis / Q000737:chemistry* / Q000633:toxicity; D018360:Crystallography, X-Ray; D018736:DNA Adducts / Q000737:chemistry; D006801:Humans; D006860:Hydrogen Bonding; D007211:Indoles / Q000737:chemistry*; D007700:Kinetics; D008968:Molecular Conformation; D010165:Palladium / Q000737:chemistry*; D010984:Platinum / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: C023422:7-azaindole dimer; D000970:Antineoplastic Agents; D056831:Coordination Complexes; D018736:DNA Adducts; D007211:Indoles; D010984:Platinum; D010165:Palladium