Transition metal chelates of novel ligand bearing Isatin moiety: Synthesis, Structural characterization, Voltammetric analysis of heavy metals, Molecular docking and Biological evaluation

• Published in: Journal of molecular structure Vol. 1293; p. 136200
• Main Authors: Afroz, Lubna, Khan, M.H. Moinuddin, Vagdevi, H.M., Pari, Malathesh, Shafeeulla, R. Mohammed, Fathima, Anees
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 05-12-2023
• Subjects: Electrochemistry; Heavy metals; Heterocyclic compounds; Molecular docking; Transition metal complexes; Tridentate ligand; Electrochemistry; Heterocyclic compounds; Transition metal complexes; Heavy metals; Molecular docking; Tridentate ligand
• ISSN: 0022-2860; 1872-8014
• DOI: 10.1016/j.molstruc.2023.136200

•The ligand HBH has been used to synthesize Co(II), Ni(II), Cu(II) and Zn(II) complexes using respective chloride metal salts.•Ligand and respective metals has been characterized using varied spectral methods and thermal analysis along with SEM & EDX techniques.•The electrochemical property of the Co(II) complex was studied by cyclic voltammeter•using modified GCE .•Co(II) metal in conjunction with ligand was successfully modified and used as sensor for individual and simultaneous detection of heavy metals (Pb2+, Cd2+ & Hg2+) through CV and LSV technique.•The antimicrobial, antioxidant, antiobesity and cytotoxicity studies of the ligand and metal complexes were performed.•The molecular docking of the metal complexes on cancer receptor PDB ID: 2A91 and microbial receptor PDB ID: 2MBR was conducted.
This study endorses the combination of experimental and pharmacological studies of 3d-metal chelates (Co(II), Ni(II), Cu(II) & Zn(II)) of novel ligand (E)-2-hydroxy-N’-(2-oxoindolin-3-ylidene)benzohydrazide (HBH) bearing isatin moiety. An array of physical and spectroscopic methods were employed to characterize the synthesized ligand and its 3d-metal complexes. In accordance with the spectroscopic methods, all the metal-coordinated compounds exhibited tridentate coordination and octahedral geometry. Further, a modified cobalt(II) metal complex carbon electrode with MWCNTs served as a sensor to identify three most noxious heavy metal ions (Pb2+, Hg2+, Cd2+) individually and simultaneously using CV and LSV methods. Generally, the proposed sensor was reliable, repeatable with high sensitivity ensuring its practical implementations in real samples with agreeable results. Also, an important aspect of this study was the exploration of the antimicrobial, antioxidant, antiobesity and anticancer properties of ligand HBH and its 3d-metal complexes. The results from the biological screening exposed the fact that the coordinated compounds demonstrated significantly higher pharmacological activities than their ligand. Additionally, molecular docking study was undertaken for antimicrobial and anticancer receptors to determine binding modes of ligand and its metal chelates.
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