Synthesis, Spectral and Quantum Calculation, in vitro and in silico Biological Activity Studies of Metal Complexes of a Schiff Base Derived from the Diethyl Pyridine-2,6-Dicarboxylate with Hydrazine

Authors

  • S. M. Rahatul Alam Department of Chemistry, University of Chittagong, Chittagong- 4331, Bangladesh
  • Mohammad Nasir Uddin Department of Chemistry, University of Chittagong, Chittagong- 4331, Bangladesh
  • Monir Uddin Department of Chemistry, University of Chittagong, Chittagong- 4331, Bangladesh
  • Wahhida Shumi Department of Microbiology, University of Chittagong, Chittagong- 4331, Bangladesh
  • Sayeda Samina Ahmed Department of Chemistry, University of Chittagong, Chittagong- 4331, Bangladesh
  • Umma Sumia Tohura Department of Chemistry, University of Chittagong, Chittagong- 4331, Bangladesh
  • Md. Moshiur Rahman Department of Chemistry, University of Chittagong, Chittagong- 4331, Bangladesh
  • Emranul Kabir Department of Chemistry, University of Chittagong, Chittagong- 4331, Bangladesh
  • S. M Iftakharul Alam Department of Chemistry, University of Chittagong, Chittagong- 4331, Bangladesh

DOI:

https://doi.org/10.33736/jaspe.14327.2026

Keywords:

Schiff base (SB) ligand, Transition metal complexes, Tetrahedral geometry, Quantum mechanical (QM) calculation, Molecular docking, Anti-microbial and Anti-oxidant activity.

Abstract

A Schiff-base (SB) ligand, pyridine-2,6-dicarbohydrazide (PDH), of pyridine-2,6-dicarboxylic acid (PDA) was synthesized via a condensation reaction of hydrazine hydrate (HH) in the presence of concentrated H2SO4. Coordination complexes of this SB-ligand with the seven d-block/transition metal (TM) ions, such as chromium (Cr3+), manganese (Mn2+), iron (Fe2+), cobalt (Co2+), nickel (Ni2+), copper (Cu2+), and zinc (Zn2+) ions, were synthesized in a 1:1 (metal: ligand) ratio. All of the prepared compounds were characterized by physicochemical and spectral (UV-Vis, FT-IR, proton NMR, Mass) analyses, along with conductance and magnetic susceptibility studies. A tetrahedral geometry was suspected for seven TM complexes when the SB-ligand acted as a tridentate dibasic ligand. The geometry of the complexes was further confirmed by quantum-chemical (DFT) studies. In vitro and in-silico studies against Salmonella sp., A. niger, Penicillium sp. demonstrated antimicrobial activity. A satisfactory outcome was observed in antioxidant tests for the prepared compounds across all tested concentrations.

 

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Published

2026-10-30

How to Cite

S. M. Rahatul Alam, Uddin, M. N., Monir Uddin, Wahhida Shumi, Sayeda Samina Ahmed, Umma Sumia Tohura, Md. Moshiur Rahman, Emranul Kabir, & S. M Iftakharul Alam. (2026). Synthesis, Spectral and Quantum Calculation, in vitro and in silico Biological Activity Studies of Metal Complexes of a Schiff Base Derived from the Diethyl Pyridine-2,6-Dicarboxylate with Hydrazine. Journal of Applied Science &Amp; Process Engineering, 13(2), 260–284. https://doi.org/10.33736/jaspe.14327.2026

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Vol. 13 No. 2 (2026): Journal of Applied Science & Process Engineering, Volume 13, Number 2, 2026

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