Corrigendum to Synthesis and Characterization of Oxime Derivatives and their Some Transition Metal Complexes with Thiadiazole Groups: Biological Activities, and Molecular Docking Studies of the Ligands

Abstract

This is an erratum of the article “Synthesis and Characterization of Oxime Derivatives and their Some Transition Metal Complexes with Thiadiazole Groups: Biological Activities, and Molecular Docking Studies of the Ligands” and the DOI is https://doi.org/10.1002/slct.202400863.

Keywords: 1,3,4-Thiadiazole, Anticancer activity, Antioxidant activity, OximE, Transition metalcomplex

Correction to Molecular Docking Study

Molecular docking simulations were conducted using MOE-ACA-ANS (3 tokens) software to investigate the binding affinities of the synthesized ligands with target proteins relevant to the investigated cancer cell lines. The Protein Data Bank (PDB; https://www.rcsb.org/) was used to retrieve the crystal structures of the following proteins:

2qsq: Associated with colon cancer (HT29 cell line); 3hy7, 3p0v: associated with human breast adenocarcinoma cell lines (MDA-MB-231 and MCF7, respectively); 3qek: associated with lung cancer (A549 cell line); 5 h08: healthy mouse hippocampal neuronal cell line (HT22); and 2o5u: rat glial tumor (C6 cell line).

These proteins were chosen based on their known involvement in the respective cancer types or their relevance as control counterparts. The binding affinities were evaluated by calculating the binding energies for each ligand-protein complex.

Correction to Acknowledgements

We acknowledge that this study was financially supported by the Karabuk University Scientific Research Projects Coordinatorship (Project No.: KBUBAP-22-YL-121).

Molecular docking simulations were conducted using MOE-ACA-ANS (3 tokens) software to investigate the binding affinities of the synthesized ligands with target proteins relevant to the investigated cancer cell lines. We acknowledge the Chemical Computing Group for providing this software.