Synthesis, Characterization, and in Silico ADMET Evaluation of Transition Metal Complexes Based on Ortho-Phenylenediamine and Its Derivatives

Noura Kichou; Nabila Guechtouli; Manel Taferguennit; Karima Ighilahriz

doi:10.55549/epstem.1754614

Synthesis, Characterization, and in Silico ADMET Evaluation of Transition Metal Complexes Based on Ortho-Phenylenediamine and Its Derivatives

Abstract

A series of cobalt (II), nickel (II), and zinc(II) complexes were synthesized using ortho-phenylenediamine and its two substituted derivatives (methyl- and nitro-ortho-phenylenediamine) as ligands. These complexes were isolated and characterized using various analytical techniques, including Elemental analysis, infrared (IR) and UV-Visible spectroscopy, gravimetry, and conductimetry. Conductimetric analysis revealed that all the complexes exhibit a non-electrolytic behavior in solution, indicating the absence of free ions in the medium. IR spectroscopic studies allowed the identification of the coordination modes of the ligands to the metal centers. Comparison of the IR spectra of the complexes with those of the free ligands highlighted the involvement of the amine (-NH₂) groups in coordination with the metal, confirming their role as the primary coordination sites. UV-Visible spectroscopic analysis was used to determine the geometry of the complexes. The observed absorption bands are characteristic of an octahedral coordination around the metal ions, which is consistent with the expected electronic transitions for these systems. In recent years, the integration of computational methodologies has considerably enhanced the ability to predict the toxicity and pharmacokinetic behavior of bioactive compounds, thereby streamlining the early stages of drug discovery. Within this framework, the present study investigates the ADMET profiles - Absorption, Distribution, Metabolism, Excretion, and Toxicity as well as the drug-likeness properties of the synthesized ligands and their corresponding transition metal complexes.

Keywords

References

Kichou, N., Guechtouli, N., Taferghennit, M., & Ighilahriz, K. (2025). Synthesis, characterization, and in silico ADMET evaluation of transition metal complexes based on ortho-phenylenediamine and its derivatives. The Eurasia Proceedings of Science, Technology, Engineering and Mathematics (EPSTEM), 34, 278-285.

Details

Primary Language

English

Subjects

Chemical Engineering (Other)

Journal Section

Conference Paper

Authors

Noura Kichou This is me
Algeria

Nabila Guechtouli This is me
Algeria

Manel Taferguennit This is me
Algeria

Karima Ighilahriz This is me
Algeria

Early Pub Date

August 1, 2025

Publication Date

August 1, 2025

Submission Date

February 8, 2025

Acceptance Date

March 11, 2025

Published in Issue

Year 2025 Volume: 34

DOI

https://doi.org/10.55549/epstem.1754614

IZ

https://izlik.org/JA29AA28JR

Cite

RIS / Bibtex

APA

Kichou, N., Guechtouli, N., Taferguennit, M., & Ighilahriz, K. (2025). Synthesis, Characterization, and in Silico ADMET Evaluation of Transition Metal Complexes Based on Ortho-Phenylenediamine and Its Derivatives. The Eurasia Proceedings of Science Technology Engineering and Mathematics, 34, 278-285. https://doi.org/10.55549/epstem.1754614