DFT, Molecular Docking, Bioactivity and ADME Analyses of Vic-dioxim Ligand Containing Hydrazone Group and its Zn(II) Complex.

Published in: Current computer-aided drug design (2023)

In conclusion, these novel compounds, especially Zn(II) complex, can be new candidates for anticancer drug development studies which are target-focused and have low toxicity.

Keyphrases

molecular docking
molecular dynamics simulations
heavy metals
oxidative stress
risk assessment