Synthesis, Characterization of Fe(III), Zr(OH)2(IV), MoO2(IV) and Cd(II) complexes, Biological Activity, DFT and Molecular Docking Studies
Rani, Avinash, Sharma, Jyoti (2025). Synthesis, Characterization of Fe(III), Zr(OH)2(IV), MoO2(IV) and Cd(II) complexes, Biological Activity, DFT and Molecular Docking Studies. oai:ojs2.pubs.rsyn.org:article/125
Rani, Avinash, Sharma, Jyoti. "Synthesis, Characterization of Fe(III), Zr(OH)2(IV), MoO2(IV) and Cd(II) complexes, Biological Activity, DFT and Molecular Docking Studies.".
Rani, Avinash, Sharma, Jyoti. "Synthesis, Characterization of Fe(III), Zr(OH)2(IV), MoO2(IV) and Cd(II) complexes, Biological Activity, DFT and Molecular Docking Studies.".
@article{rani2025synthesis,
title = {Synthesis, Characterization of Fe(III), Zr(OH)2(IV), MoO2(IV) and Cd(II) complexes, Biological Activity, DFT and Molecular Docking Studies},
author = {Rani, Avinash and Sharma, Jyoti},
year = 2025,
journal = {},
url = oai:ojs2.pubs.rsyn.org:article/125,
language = en
}
TY - JOUR TI - Synthesis, Characterization of Fe(III), Zr(OH)2(IV), MoO2(IV) and Cd(II) complexes, Biological Activity, DFT and Molecular Docking Studies AU - Rani, Avinash AU - Sharma, Jyoti PY - 2025 DA - 2025-04-01 UR - oai:ojs2.pubs.rsyn.org:article/125 AB - A series of novel metal complexes of Fe(III), Zr(OH)2(IV), MoO2(IV) and Cd(II) were synthesized through the condensation reaction of a Schiff base, derived from thiosemicarbazide and p-chlorobenzaldehyde with their respective metal salts. The synthesized ligand and its metal complexes were characterized using FT-IR, UV-Vis, 1H NMR and mass spectroscopy. Additionally, molar conductivity, magnetic moment measurements and elemental analyses were conducted to further confirm the structures. The molecular structures of the ligand and its complexes were optimized using Gaussian 09 and the resulting structural parameters were analyzed. Quantum chemical properties of these compounds were predicted and discussed in detail. Furthermore, the antimicrobial activity of the synthesized compounds was evaluated against fungal and bacterial strains. Molecular docking studies were performed with DNA and human serum albumin (HSA) using Autodock4 to investigate their potential biological interactions. LA - en ER -
🤖 AI Key Takeaways & Research Insights
Automated AI Analysis💡 Core Finding
A series of novel metal complexes of Fe(III), Zr(OH)2(IV), MoO2(IV) and Cd(II) were synthesized through the condensation reaction of a Schiff base, derived from thiosemicarbazide and p-chlorobenzaldehyde with their respe...
🔬 Methodology
The synthesized ligand and its metal complexes were characterized using FT-IR, UV-Vis, 1H NMR and mass spectroscopy.
🎯 Domain Impact
Molecular docking studies were performed with DNA and human serum albumin (HSA) using Autodock4 to investigate their potential biological interactions.
Abstract
A series of novel metal complexes of Fe(III), Zr(OH)2(IV), MoO2(IV) and Cd(II) were synthesized through the condensation reaction of a Schiff base, derived from thiosemicarbazide and p-chlorobenzaldehyde with their respective metal salts. The synthesized ligand and its metal complexes were characterized using FT-IR, UV-Vis, 1H NMR and mass spectroscopy. Additionally, molar conductivity, magnetic moment measurements and elemental analyses were conducted to further confirm the structures. The molecular structures of the ligand and its complexes were optimized using Gaussian 09 and the resulting structural parameters were analyzed. Quantum chemical properties of these compounds were predicted and discussed in detail. Furthermore, the antimicrobial activity of the synthesized compounds was evaluated against fungal and bacterial strains. Molecular docking studies were performed with DNA and human serum albumin (HSA) using Autodock4 to investigate their potential biological interactions.
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