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Synthesis, Crystal Structures, Genotoxicity, and Antifungal and Antibacterial Studies of Ni(II) and Cd(II) Pyrazole Amide Coordination Complexes.

Amal El MahdaouiSmaail RadiYoussef DraouiMohamed El MassaoudiSabir OuahhoudAbdeslam AsehraouNour Eddine BentouhamiEnnouamane SaalaouiRedouane BenabbesKoen RobeynsYann Garcia
Published in: Molecules (Basel, Switzerland) (2024)
In this study, we synthesized two coordination complexes based on pyrazole-based ligands, namely 1,5-dimethyl- N -phenyl-1H-pyrazole-3-carboxamide ( L 1 ) and 1,5-dimethyl- N -propyl-1H-pyrazole-3-carboxamide ( L 2 ), with the aim to investigate bio-inorganic properties. Their crystal structures revealed a mononuclear complex [Ni( L 1 ) 2 ](ClO 4 ) 2 ( C 1 ) and a dinuclear complex [Cd 2 ( L 2 ) 2 ]Cl 4 ( C 2 ). Very competitive antifungal and anti-Fusarium activities were found compared to the reference standard cycloheximide. Additionally, L 1 and L 2 present very weak genotoxicity in contrast to the observed increase in genotoxicity for the coordination complexes C 1 and C 2 .
Keyphrases
  • molecular docking
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  • molecular dynamics simulations
  • magnetic resonance
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