Theoretical Study of the Effects of Different Coordination Atoms (O/S/N) on Crystal Structure, Stability, and Protein/DNA Binding of Ni(II) Complexes with Pyridoxal-Semi, Thiosemi, and Isothiosemicarbazone Ligand Systems

Theoretical Study of the Effects of Different Coordination Atoms (O/S/N) on Crystal Structure, Stability, and Protein/DNA Binding of Ni(II) Complexes with Pyridoxal-Semi, Thiosemi, and Isothiosemicarbazone Ligand Systems

Nickel transition metal complexes have shown various biological activities that depend on the ligands and geometry. In this contribution, six Ni(II) nitrate complexes with pyridoxal-semi, thiosemi, and isothiosemicarbazone ligands were examined using theoretical chemistry methods. The structures of...

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Bibliographic Details
Main Authors: Violeta Jevtovic, Aleksandra Rakić, Odeh A. O. Alshammari, Munirah Sulaiman Alhar, Tahani Alenezi, Violeta Rakic, Dušan Dimić
Format: Article
Language:English
Published: MDPI AG 2024-09-01
Series:Inorganics
Subjects:
nickel(II) complexes
DFT
QTAIM
HSA
DNA
molecular docking
Online Access:https://www.mdpi.com/2304-6740/12/9/251

Internet

https://www.mdpi.com/2304-6740/12/9/251

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