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Journals / Gazi University Journal of Science / 2026 / Volume: 39 Issue: 3

Investigation of Potential Antioxidant Properties of Some 1,2,4-Triazole Schiff Bases and Amine Derivatives by In Silico Methods

Işık Çakmak(KARADENİZ TEKNİK ÜNİVERSİTESİ)0000-0003-4758-4077
Nurhan Gümrükçüoğlu(Karadeniz Technical University)0000-0002-9669-6318
Pages
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Publication Date
2026-09-01
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AI Summary & Key Takeaways

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⚡ TL;DR(Too Long; Didn't Read)

The analyses revealed that several compounds exhibited binding affinity with the active site of PRDX5, suggesting their potential as effective antioxidant agents through PRDX5 interaction.

📌 3 Key Takeaways

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Objective & Hypothesis:Schiff bases were compounds with a wide range of biological activities, including antioxidant properties.
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Key Findings & Data:In this study, in silico studies were conducted using some 1,2,4-triazole Schiff bases and amine derivatives previously synthesized and analyzed for their in vitro antioxidant properties in terms of DPPH, ABTS, radical scavenging activities, and reducing power, with the aim of revealing their interaction patterns with target proteins.
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Conclusion & Impact:The analyses revealed that several compounds exhibited binding affinity with the active site of PRDX5, suggesting their potential as effective antioxidant agents through PRDX5 interaction.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:ADME · Antioxidant · Molecular docking

Abstract

Schiff bases were compounds with a wide range of biological activities, including antioxidant properties. In this study, in silico studies were conducted using some 1,2,4-triazole Schiff bases and amine derivatives previously synthesized and analyzed for their in vitro antioxidant properties in terms of DPPH, ABTS, radical scavenging activities, and reducing power, with the aim of revealing their interaction patterns with target proteins. The effects of these compounds on the human peroxiredoxin 5 (PRDX5) enzyme are not yet known. Therefore, using molecular docking, the potential interaction regions, binding energies, associated amino acid residues, and ADME (Absorption, Distribution, Metabolism, Elimination) properties of these compounds with PRDX5 were investigated. The analyses revealed that several compounds exhibited binding affinity with the active site of PRDX5, suggesting their potential as effective antioxidant agents through PRDX5 interaction.

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Cite This Article

Çakmak, I., Gümrükçüoğlu, N. (2026). Investigation of Potential Antioxidant Properties of Some 1,2,4-Triazole Schiff Bases and Amine Derivatives by In Silico Methods. Gazi University Journal of Science, Volume: 39 Issue: 3. https://doi.org/10.35378/gujs.1703063

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