Exploring DNA binding ability of two novel α-N-heterocyclic thiosemicarbazone palladium(II) complexes
Lidia Fuentes1, Adoración G Quiroga2, Juan A Organero3
1Departamento de Química Inorgánica (Módulo 07), Facultad de Ciencias, c/ Francisco Tomás y Valiente n° 7, Universidad Autónoma de Madrid, 28049 Madrid, Spain.
Abstract:
One mononuclear and another dinuclear Pd(II) complexes bearing a α-N-heterocyclic thiosemicarbazone ligand have been synthesized, fully characterized and studied as biological agents. In both complexes, the palladium center is coordinated to 3,5-diacetyl-1,2,4-triazol bis(N4,N4-dimethylthiosemicarbazone) via three sites (N, N and S). Their binding ability to DNA has been evaluated using spectroscopic and biophysical techniques. Molecular docking and molecular dynamics calculations supports the existence of a minor groove binding mode between the studied compounds and DNA.
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