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Theoretical Insights into Different Complexation Modes of Dioxovanadium(V) Compounds with Pyridoxal Semicarbazone/Thiosemicarbazone/S-Methyl-iso-thiosemicarbazone Ligands

Vanadium complexes have gained considerable attention as biologically active compounds. In this contribution, three previously reported dioxovanadium(V) complexes with pyridoxal semicarbazone, thiosemicarbazone, and S-methyl-iso-thiosemicarbazone ligands are theoretically examined. The intermolecula...

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Principais autores: Odeh Abdullah Odeh Alshammari, Sawsan Maisara, Badriah Alshammari, Maha Raghyan Alshammari, Violeta Rakic, Jasmina Dimitrić Marković, Violeta Jevtovic, Dušan Dimić
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2024-03-01
Serier:Molecules
Fag:
dioxovanadium(V)
pyridoxal semicarbazone
pyridoxal isothiosemicarbazone
DFT
QTAIM
molecular docking
Online adgang:https://www.mdpi.com/1420-3049/29/6/1213
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