Second generation of Casiopeinas (R): A joint experimental and theoretical study
Por:
Reina, Miguel, Hernandez-Ayala, Luis Felipe, Bravo-Gomez, Maria Elena, GOMEZ, VIRGINIA, Ruiz-Azuara, Lena
Publicada:
1 mar 2021
Resumen:
Herein, we present the synthesis, characterization, DFT calculations and
in vitro evaluation of antiproliferative activity against HeLa and MCF-7
cancer tumor cell lines of three novel second generation Casiopeinas?
complexes. These compounds are characterized by the substitution of the
usual negatively charged secondary ligand with a neutral bidentate
ligand (2AMB = 2-aminomethylbenzimidazole), in order to improve both
hydrophilicity and antiproliferative activity. Geometry for the
compounds in this study assumes that complexes present a
fivecoordination number with a square pyramidal geometry, in which two
bidentate ligands are in the plane and a nitrate anion is bonded in the
axial position. Among analyzed complexes, only
[Cu(4,7-dimethyl-1,10-phenanthroline)(2AMB)(NO3)]NO3 is shown to be
more effective than the referenced cisplatin drug, against both HeLa and
MCF-7 tumor cell lines. Finally, for studied compounds,
structure?activity relationships are strongly determined by either the
calculated molar volume (V) or the redox potential (E1/2) of CuII/CuI of
the complexes. These results aim to encourage further joint experimental
theoretical studies, not only to describe biological activity, but also
to predict it.
Filiaciones:
Reina, Miguel:
Univ Nacl Autonoma Mexico, Fac Quim, Av Univ 3000,Circuito Exterior S-N,CU,POB 70-360, Mexico City 04510, DF, Mexico
Hernandez-Ayala, Luis Felipe:
Univ Nacl Autonoma Mexico, Fac Quim, Av Univ 3000,Circuito Exterior S-N,CU,POB 70-360, Mexico City 04510, DF, Mexico
Bravo-Gomez, Maria Elena:
Univ Nacl Autonoma Mexico, Fac Quim, Av Univ 3000,Circuito Exterior S-N,CU,POB 70-360, Mexico City 04510, DF, Mexico
Univ Nacl Autonoma Mexico, Fac Med, Ciencia Forense, Av Univ 3000,Circuito Exterior S-N,CU,POB 70-360, Mexico City 04510, DF, Mexico
GOMEZ, VIRGINIA:
Univ Nacl Autonoma Mexico, Inst Quim, Av Univ 3000,Circuito Exterior S-N,CU,POB 70-360, Mexico City 04510, DF, Mexico
Ruiz-Azuara, Lena:
Univ Nacl Autonoma Mexico, Fac Quim, Av Univ 3000,Circuito Exterior S-N,CU,POB 70-360, Mexico City 04510, DF, Mexico
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