Interaction between transition metal complexes derived from flavonoid ligands and DNA nitrogenous bases

Vol 2, 2023 - 163730
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Abstract

Flavonoids are polyphenolic compounds, that have antioxidant, antiviral
and anti-inflammatory activities lavonoids have been used in design studies of new cancer drugs, but their mechanism still not elucidated.

initially, calculations were performed to optimize the geometry and vibrational harmonic frequencies Electronic structure calculations were performed using the Gaussian 09 package employing the B3LYP and M06-2X functionals

Our results revealed that the guanine molecule monodentally coordinated the metal ions through its N7 atom. Possibly, a very similar to cisplatin interaction.

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Institutions
  • 1 UNIVERSIDADE DO ESTADO DO RIO DE JANEIRO
  • 2 Universidade Federal de Minas Gerais
Track
  • Density Functional Theory
Keywords
Transition metal complexes; Nitrogenous Bases; Molecular stability; Câncer