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Vol. 37 No. 11 (2025): Vol 37 Issue 11, 2025

Copyright (c) 2025 MOHD SHAHZAD, NAMAN CHAUDHARY, SHASTI BALLABH MISHRA

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This work is licensed under a Creative Commons Attribution 4.0 International License.

Synthesis, Characterization, DFT Calculation and Evaluation of Antimicrobial, Antioxidant and Anticancer Properties of Cadmium(II) Complex of N-[2-Hydroxy-3-methylbenzyl]valine

https://doi.org/10.14233/ajchem.2025.34214
Mohd Shahzad
Department of Chemistry, Motiram Baburam Government Post Graduate College, Haldwani-263139, India
https://orcid.org/0009-0002-1215-267X
Naman Chaudhary
Department of Chemistry, Motiram Baburam Government Post Graduate College, Haldwani-263139, India
https://orcid.org/0009-0006-7497-5873
Shasti Ballabh Mishra
Department of Chemistry, Motiram Baburam Government Post Graduate College, Haldwani-263139, India
https://orcid.org/0009-0009-3928-6601

Corresponding Author(s) : Mohd Shahzad

mshahzad10594@gmail.com

Asian Journal of Chemistry, Vol. 37 No. 11 (2025): Vol 37 Issue 11, 2025

Abstract

In this work, a novel cadmium(II) complex was synthesized through a complexation reaction between cadmium acetate and a ligand obtained through nucleophilic substitution. The structural and electronic properties were examined by IR, NMR, UV-Vis spectroscopy, SEM, PXRD and DFT calculation techniques. FT-IR validated the metal-ligand coordination, whereas UV-Vis spectra revealed electronic changes and metal-to-ligand charge transfer (MLCT) during cadmium complexation. SEM demonstrated morphological alterations, with the complex displaying a dense and stable architecture. XRD study indicated a transition from a monoclinic (P21/a) crystal system in the ligand to a hexagonal (P63/mmc) system in the metal complex, implying structural reorganization. The biological activities of the ligand before and after coordination were evaluated and compared in terms of antimicrobial activity (against Aspergillus niger and Escherichia coli), antioxidant activity (using the DPPH radical scavenging assay), and anticancer activity (against MCF-7 breast cancer cells). In antimicrobial activity, Cd(II) complex demonstrated enhanced antifungal activity against A. niger while ligand has greater antibacterial efficacy against E. coli. Antioxidant activity of ligand exhibited superior radical scavenging at low concentration while Cd(II) complex approached the greater potency of ascorbic acid (standard) at higher doses. Anticancer properties evaluated the complex displayed the stronger anticancer effects than the ligand due to metal coordination with ligand.

Keywords

Valine Cadmium(II) complex Density functional theory Biological activities
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Shahzad, M.; Chaudhary, N.; Mishra, S. B. Synthesis, Characterization, DFT Calculation and Evaluation of Antimicrobial, Antioxidant and Anticancer Properties of Cadmium(II) Complex of N-[2-Hydroxy-3-methylbenzyl]valine. ajc 2025, 37, 2831-2838.
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