Bis-1,2,3-Triazole Incorporated Organosilatrane for Dual Recognition of Cystine and Zr (IV): Exploring the Antioxidant Activity and Docking Study

IF 3.7 2区化学 Q2 CHEMISTRY, APPLIED

Applied Organometallic Chemistry Pub Date : 2025-08-23 DOI:10.1002/aoc.70371

Gurjaspreet Singh, Jigmat Stanzin, Jashan Deep Kaur, Pooja Malik, Harshbir Kaur, Anu Radha, Komal, Vinit Yadav, Vikas

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Abstract

A new bis-1,2,3-triazole associated silatrane 5 was synthesized and characterized by various analytical spectroscopic techniques such as FT-IR, ¹H &¹³C-NMR spectroscopy, and mass spectrometry. The probe 5 was employed for selective detection of cystine (Cys2) and Zr (IV) ion under spectrophotometric analysis. The LOD value for Cys2 was found to be 6.66 × 10⁻⁶ M under UV–visible spectrophotometry and for Zr (IV) was 4.82 × 10⁻⁷ M under fluorescence study. The stoichiometric ratio was found to be 1:1 for Cys2 and Zr (IV). The probe 5 has effectively scavenged DPPH, indicating that it possesses antioxidant properties. Using molecular docking, the binding energy against cystathionine protein was observed to be −6.24 kcal/mol. The above findings indicate that the probe 5 has potential applications in sensing as well as in biological fields.

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双-1,2,3-三唑结合有机硅烷双识别胱氨酸和Zr (IV)：抗氧化活性探索及对接研究

合成了一种新的双-1,2,3-三唑伴生硅烷5，并用FT-IR、1H & 13C-NMR、质谱等分析光谱技术对其进行了表征。在分光光度法中，探针5可选择性检测胱氨酸（Cys2）和Zr （IV）离子。紫外可见分光光度法测定Cys2的LOD值为6.66 × 10−6 M，荧光法测定Zr （IV）的LOD值为4.82 × 10−7 M。发现Cys2和Zr （IV）的化学计量比为1:1。探针5已有效清除DPPH，表明其具有抗氧化特性。通过分子对接，观察到与胱硫氨酸蛋白的结合能为−6.24 kcal/mol。上述研究结果表明，该探针在传感和生物领域都有潜在的应用前景。

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来源期刊

Applied Organometallic Chemistry 化学-无机化学与核化学

CiteScore

7.80

自引率

10.30%

发文量

408

审稿时长

2.2 months

期刊介绍： All new compounds should be satisfactorily identified and proof of their structure given according to generally accepted standards. Structural reports, such as papers exclusively dealing with synthesis and characterization, analytical techniques, or X-ray diffraction studies of metal-organic or organometallic compounds will not be considered. The editors reserve the right to refuse without peer review any manuscript that does not comply with the aims and scope of the journal. Applied Organometallic Chemistry publishes Full Papers, Reviews, Mini Reviews and Communications of scientific research in all areas of organometallic and metal-organic chemistry involving main group metals, transition metals, lanthanides and actinides. All contributions should contain an explicit application of novel compounds, for instance in materials science, nano science, catalysis, chemical vapour deposition, metal-mediated organic synthesis, polymers, bio-organometallics, metallo-therapy, metallo-diagnostics and medicine. Reviews of books covering aspects of the fields of focus are also published.