Synthesis, Structural Characterization and Biological Evaluation of Rhenium(I) Tricarbonyl Complexes with β-Carboline Ligands.

MAISULS, IVÁN; WOLCAN, EZEQUIEL; PIRO, OSCAR E.; CASTELLANO, EDUARDO E.; PETROSELLI, GABRIELA; CABRERIZO, FRANCO M.; RUIZ, GUSTAVO T.; R.; ERRA BALSELLS

ChemistrySelect

Wiley-VCH

Lugar: Weinheim; Año: 2017 vol. 2 p. 8666 - 8672

2365-6549

Two b-carboline rhenium(I) complexes, fac-[Re(CO)3(dppz)(nHo)]O3SCF3 and fac-[Re(CO)3(nHo)2Cl] where dppz=dipyrido[3, 2-a:2?,3?-c] phenazine and nHo=9H-pyrido[3, 4-b]indole (norharmane), have been synthesized. These complexeswere fully characterized by structural X-ray diffraction, 1H and13CNMR, UV-vis absorption and FT-IR spectroscopy and massspectrometry. Ground state geometry optimization was carriedout in vacuo with the PBE0 hybrid functional using theLanL2DZ basis set. The characterization was complementedwith TD-DFT calculations using several hybrid functionals.Cellular uptake and cytotoxic effect of both complexes againsthuman lung carcinoma (A549) cells were evaluated. Forcomparative purpose, two related fac-[Re(CO)3(L)(nHo)]+ complexes(L=bpy and phen) were included in the biologicalstudies. The anti-proliferative effect of the compounds wasrationalized in terms of the different extension of the ligands psystem.