Wisam Taher Muslim
Department of Pharmaceutical Chemistry, College of Pharmacy, University of Kufa, Najaf, Iraq
ABSTRACT
The present study successfully describes the synthesis and comprehensive characterization of a novel Zn(II) coordination complex derived from a heterocyclic amide-based ligand. Spectroscopic analyses, including FT-IR and NMR, confirmed the successful formation of the ligand and its coordination with the zinc ion through the expected donor atoms. The structural features indicate the formation of a stable coordination environment suitable for biological applications. Molecular docking studies against the EGFR tyrosine kinase receptor demonstrated a favorable binding mode with a binding affinity of −8.90 kcal/mol, supported by hydrogen bonding and hydrophobic interactions within the active site. Furthermore, the synthesized complex exhibited concentration-dependent antibacterial activity against both Gram-positive and Gram-negative bacterial strains, with greater efficacy toward Gram-positive bacteria. Collectively, these findings highlight the potential of the synthesized Zn(II) complex as a promising scaffold for further development of biologically active coordination compounds with possible antimicrobial and anticancer applications.
KEYWORDS
Zn (II) coordination complex; Heterocyclic ligand; Spectroscopic characterization; FT-IR; NMR; EGFR; Molecular docking; Antibacterial activity; Metal-based bioactive compounds.
REFERENCES
1) Kaim W.; Schwederski B. Kaim, W.; Schwederski, B.; Klein, A. Bioinorganic Chemistry—Inorganic Elements in the Chemistry of Life, 3rd ed.; Wiley: Chichester, 2021.
2) Ghosh, P. “Transition Metal Complexes with Nitrogen and Oxygen Donor Ligands: Structural Diversity and Biological Applications.” Journal of Molecular Structure, 2022, 1261, 132899.
3) Liu, Y.; Wang, J. “Recent Advances in Zinc(II) Complexes as Antimicrobial and Anticancer Agents.” European Journal of Medicinal Chemistry, 2023, 245, 114892.
4) Singh, K.; Sharma, R. “Coordination Behavior of N,O-Donor Heterocyclic Ligands toward Zn(II) Ions.” Inorganica Chimica Acta, 2021, 516, 120140.
5) Kumar, S.; Gupta, P. “Biological Potential of Zinc(II) Complexes Containing Pyridine-Based Ligands.” Applied Organometallic Chemistry, 2022, 36(9), e6764.
6) Bhattacharya, S. “Metal Complexes in Medicinal Chemistry: Current Trends and Future Perspectives.” Dalton Transactions, 2023, 52, 11874–11895.
7) Mishra, A.; Tiwari, S. “Synthesis, Spectroscopic Characterization and DNA Interaction Studies of Zinc(II) Complexes.” Journal of Coordination Chemistry, 2022, 75(14), 2015–2030.
8) Rani, N.; Verma, S. “Heterocyclic Amide-Based Zinc Complexes: Structural Features and Pharmacological Activities.” Polyhedron, 2024, 247, 116706.
9) Patel, R.; Mehta, K. “Zinc Complexes as Emerging Alternatives to Platinum Anticancer Drugs.” Journal of Inorganic Biochemistry, 2023, 240, 112091.
10) Chen, X.; Li, H. “Photophysical and Electronic Properties of Aromatic Zinc(II) Complexes.” Coordination Chemistry Reviews, 2022, 467, 214612.
11) Hosseini, M.; Ahmadi, R. “Hydrogen Bonding and Supramolecular Architectures in Zn(II) Amide Complexes.” CrystEngComm, 2021, 23, 7440–7452.
12) Nakamoto, K. Infrared and Raman Spectra of Inorganic and Coordination Compounds, 7th ed.; Wiley, 2021.
13) Bera, P.; Dutta, A. “Reactive Oxygen Species Generation by Zinc Complexes and Their Role in Cancer Therapy.” ACS Omega, 2024, 9, 15421–15439.
14) Ali, A.; Hassan, Q. “Structure–Activity Relationship Studies of Zn(II) Coordination Compounds with Mixed N,O-Donor Ligands.” Journal of Molecular Liquids, 2023, 381, 121876.
15) 16.Kumar, N., Kaushal, R., & Awasthi, P. (2025). Transition Metal Complexes as Antibacterial Agents: An Overview. Journal of Inorganic and Organometallic Polymers and Materials.
16) 17.Tweedy, B. G. (1964). Possible Mechanism for Enhancement of Antimicrobial Activity through Chelation. Phytopathology, 55, 910–914.
17) 18.Aderoju, A. O., et al. (2023). Copper(II) complexes as potential antimicrobial agents: synthesis, characterization and biological applications. Research on Chemical Intermediates.
Cite this article
Muslim, Wisam T.(2026).Synthesis and Biological Evaluation of a Novel Zn (II) Coordination Complex: Spectroscopic Characterization, EGFR Molecular Docking and Antibacterial Activity. INTERNATIONAL JOURNAL OF HEALTH & MEDICAL RESEARCH, 5(8), 829-836. https://doi.org/10.58806/ijhmr.2026.v5i8n14
ABSTRACT
The present study successfully describes the synthesis and comprehensive characterization of a novel Zn(II) coordination complex derived from a heterocyclic amide-based ligand. Spectroscopic analyses, including FT-IR and NMR, confirmed the successful formation of the ligand and its coordination with the zinc ion through the expected donor atoms. The structural features indicate the formation of a stable coordination environment suitable for biological applications. Molecular docking studies against the EGFR tyrosine kinase receptor demonstrated a favorable binding mode with a binding affinity of −8.90 kcal/mol, supported by hydrogen bonding and hydrophobic interactions within the active site. Furthermore, the synthesized complex exhibited concentration-dependent antibacterial activity against both Gram-positive and Gram-negative bacterial strains, with greater efficacy toward Gram-positive bacteria. Collectively, these findings highlight the potential of the synthesized Zn(II) complex as a promising scaffold for further development of biologically active coordination compounds with possible antimicrobial and anticancer applications.
KEYWORDS
Zn (II) coordination complex; Heterocyclic ligand; Spectroscopic characterization; FT-IR; NMR; EGFR; Molecular docking; Antibacterial activity; Metal-based bioactive compounds.
REFERENCES
1) Kaim W.; Schwederski B. Kaim, W.; Schwederski, B.; Klein, A. Bioinorganic Chemistry—Inorganic Elements in the Chemistry of Life, 3rd ed.; Wiley: Chichester, 2021.
2) Ghosh, P. “Transition Metal Complexes with Nitrogen and Oxygen Donor Ligands: Structural Diversity and Biological Applications.” Journal of Molecular Structure, 2022, 1261, 132899.
3) Liu, Y.; Wang, J. “Recent Advances in Zinc(II) Complexes as Antimicrobial and Anticancer Agents.” European Journal of Medicinal Chemistry, 2023, 245, 114892.
4) Singh, K.; Sharma, R. “Coordination Behavior of N,O-Donor Heterocyclic Ligands toward Zn(II) Ions.” Inorganica Chimica Acta, 2021, 516, 120140.
5) Kumar, S.; Gupta, P. “Biological Potential of Zinc(II) Complexes Containing Pyridine-Based Ligands.” Applied Organometallic Chemistry, 2022, 36(9), e6764.
6) Bhattacharya, S. “Metal Complexes in Medicinal Chemistry: Current Trends and Future Perspectives.” Dalton Transactions, 2023, 52, 11874–11895.
7) Mishra, A.; Tiwari, S. “Synthesis, Spectroscopic Characterization and DNA Interaction Studies of Zinc(II) Complexes.” Journal of Coordination Chemistry, 2022, 75(14), 2015–2030.
8) Rani, N.; Verma, S. “Heterocyclic Amide-Based Zinc Complexes: Structural Features and Pharmacological Activities.” Polyhedron, 2024, 247, 116706.
9) Patel, R.; Mehta, K. “Zinc Complexes as Emerging Alternatives to Platinum Anticancer Drugs.” Journal of Inorganic Biochemistry, 2023, 240, 112091.
10) Chen, X.; Li, H. “Photophysical and Electronic Properties of Aromatic Zinc(II) Complexes.” Coordination Chemistry Reviews, 2022, 467, 214612.
11) Hosseini, M.; Ahmadi, R. “Hydrogen Bonding and Supramolecular Architectures in Zn(II) Amide Complexes.” CrystEngComm, 2021, 23, 7440–7452.
12) Nakamoto, K. Infrared and Raman Spectra of Inorganic and Coordination Compounds, 7th ed.; Wiley, 2021.
13) Bera, P.; Dutta, A. “Reactive Oxygen Species Generation by Zinc Complexes and Their Role in Cancer Therapy.” ACS Omega, 2024, 9, 15421–15439.
14) Ali, A.; Hassan, Q. “Structure–Activity Relationship Studies of Zn(II) Coordination Compounds with Mixed N,O-Donor Ligands.” Journal of Molecular Liquids, 2023, 381, 121876.
15) 16.Kumar, N., Kaushal, R., & Awasthi, P. (2025). Transition Metal Complexes as Antibacterial Agents: An Overview. Journal of Inorganic and Organometallic Polymers and Materials.
16) 17.Tweedy, B. G. (1964). Possible Mechanism for Enhancement of Antimicrobial Activity through Chelation. Phytopathology, 55, 910–914.
17) 18.Aderoju, A. O., et al. (2023). Copper(II) complexes as potential antimicrobial agents: synthesis, characterization and biological applications. Research on Chemical Intermediates.
Cite this article
Muslim, Wisam T.(2026).Synthesis and Biological Evaluation of a Novel Zn (II) Coordination Complex: Spectroscopic Characterization, EGFR Molecular Docking and Antibacterial Activity. INTERNATIONAL JOURNAL OF HEALTH & MEDICAL RESEARCH, 5(8), 829-836. https://doi.org/10.58806/ijhmr.2026.v5i8n14
