Synthesis, Characterization and Biological Evaluation of NovelMacrocyclic Metal ‎Complexes: Insights from Spectroscopic Analysis, Molecular Docking, Antioxidant Studies‎, andAntimicrobial Screening

Authors

  • Rajrani Gulia

    Department of Chemistry, Baba Mastnath University, Asthal Bohar, Rohtak-124021, India

  • Indu Sindhu

    Department of Chemistry, Baba Mastnath University, Asthal Bohar, Rohtak-124021, India

  • Anshul Singh

    Department of Chemistry, Baba Mastnath University, Asthal Bohar, Rohtak-124021, India

  • Neetu Patel

    Department of Chemistry, Awadhesh Pratap Singh University, Rewa, M.P. 486003, India

How to Cite

Gulia , R. ., Sindhu , I. ., Singh , A. ., & Patel , N. . (2025). Synthesis, Characterization and Biological Evaluation of NovelMacrocyclic Metal ‎Complexes: Insights from Spectroscopic Analysis, Molecular Docking, Antioxidant Studies‎, andAntimicrobial Screening. International Journal of Advanced Chemistry, 13(2), 7-18. https://doi.org/10.14419/xmh8yz53

Received date: June 15, 2025

Accepted date: July 14, 2025

Published date: July 20, 2025

DOI:

https://doi.org/10.14419/xmh8yz53

Keywords:

Macrocyclic Complexes; Antimicrobial; Antioxidant; Molecular Docking; Template Methodology

Abstract

Significant contributions to the development of inorganic chemistry were made by macrocyclic complexes. It has stimulated interest in the study of macrocyclic metal ‎complexes in the design and development of novel antibiotics. In this regard, a series of nine ‎novel macrocyclic complexes of Co(II), Ni(II), and Cu(II) were synthesized by a template approach ‎in a [2:1:2] ratio utilizing o-phenylenediamine and dicarboxylic acid. The newly designed ‎complex's structure has been verified by elemental analysis, Fourier transform infrared, UV-Visible, mass spectrometry, thermogravimetric (TG) analysis, and EPR studies. The Coats-Redfern method was employed for the evaluation of various thermodynamic parameters. Based on ‎the spectral studies distorted octahedral geometry has been proposed around the central metal ion ‎in the synthesized complexes. The synthesized complexes were evaluated against Gram-positive ‎bacteria [S. aureus, B. subtilis] and Gram-negative [E. coli, P. aeruginosa] along with fungal ‎strains [C. albicans and A. niger] to assist their antimicrobial potential by agar well diffusion ‎method. Furthermore, the complexes have also been examined for their antioxidant activity ‎utilizing the DPPH assay. Subsequently, molecular docking studies were performed using the Auto ‎Dock Vina programme to assess the biological significance of the synthesized complexes and ‎determine effective binding modes between different ligands and the receptor proteins. The ‎copper macrocyclic complexes demonstrated excellent biocidal action against the selected ‎microbes. Copper acetate exhibited the highest antioxidant potential. The obtained results revealed ‎that the synthesized macrocyclic complexes are potent for making them attractive metal-based ‎antimicrobial and antioxidant prototypes‎.

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How to Cite

Gulia , R. ., Sindhu , I. ., Singh , A. ., & Patel , N. . (2025). Synthesis, Characterization and Biological Evaluation of NovelMacrocyclic Metal ‎Complexes: Insights from Spectroscopic Analysis, Molecular Docking, Antioxidant Studies‎, andAntimicrobial Screening. International Journal of Advanced Chemistry, 13(2), 7-18. https://doi.org/10.14419/xmh8yz53

Received date: June 15, 2025

Accepted date: July 14, 2025

Published date: July 20, 2025