Salen-Type Copper(II) Complexes: Synthesis, Characterization, Computational Studies, Molecular Docking, Anticancer Potential, and Pharmacokinetic Prediction.

ABSTRACT: Transition metal complexes are considered a significant treatment for cancer diseases because of their efficacy toward cancer cells. However, most of these compounds have limited potential toward cancer cells due to their organic backbone structure. Here, the synthesis and anticancer screening of three different ligand structures of salen copper(II) complexes are reported: [Cu^II(salophen)(H₂O)₂] (1), [Cu^II(salen)(H₂O)₂] (2), and [Cu^II(etho-salen)(H₂O)₂] (3). Using density functional theory-optimized structures, docking active site interactions are evaluated to predict the activity of salen-type ligands and their copper(II) complexes against cyclin-dependent kinase 5 (Cdk5 ) and aromatase cyto

SUBMITTER: Helaly AA 

PROVIDER: S-EPMC12409841 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature