Benzimidazole appended 1,2,3-Triazole Chemosensor: Selective Zr(IV) sensing coupled with anticancer and antioxidant potency

IF 5.4 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Communications Pub Date : 2025-09-22 DOI:10.1016/j.inoche.2025.115545

Gurjaspreet Singh , Jyoti , Mithun , Harshbir Kaur , Bhavana Rani , Komal , Baljinder Singh Gill , Deepanjali Baliyan , Amarjit Kaur

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Abstract

Benzimidazole appended 1,2,3-triazole was synthesized and highlighting the Zr(IV) sensing, antioxidant and anticancer properties. The characterization of the probe (Bentz) was executed via ¹H and ¹³C NMR, mass spectrum analysis, Infrared spectroscopy (FT). The Bentz shows good sensitivity and selectivity towards Zr(IV) in contrast to other various metal ions through UV–Visible spectrophotometer. The LOD and binding constant was figured out as 0.349 × 10⁻⁷ M and 5.32 × 10⁴ M⁻¹. Job's plot confirms that the binding ratio between Bentz and Zr(IV) comes out to be 1:1. The interaction between Bentz and Zr(IV) was verified through ¹H NMR, mass spectrum analysis and Fourier transform infrared spectroscopy. The Bentz showed antioxidant and anticancer activity which has been checked through experimental method and molecular docking analysis. The binding energies of Bentz with proteins human papillomavirus 31 and cyclooxygenase-2 comes out to be −10.43 and − 11.27 kcal/mol respectively.

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苯并咪唑附加1,2,3-三唑化学传感器：选择性Zr（IV）传感，具有抗癌和抗氧化能力

合成了含1,2,3-三唑的苯并咪唑，具有Zr（IV）传感、抗氧化和抗癌特性。通过1H和13C NMR，质谱分析，红外光谱（FT）对探针（Bentz）进行了表征。通过紫外可见分光光度计对Zr（IV）表现出良好的灵敏度和选择性。LOD和结合常数分别为0.349 × 10−7 M和5.32 × 104 M−1。约伯的情节证实了Bentz和Zr（IV）的结合比是1:1。通过1H NMR、质谱分析和傅里叶变换红外光谱验证了Bentz与Zr（IV）的相互作用。通过实验方法和分子对接分析证实，Bentz具有抗氧化和抗癌活性。Bentz与人乳头瘤病毒31和环氧化酶-2蛋白的结合能分别为- 10.43和- 11.27 kcal/mol。

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来源期刊

Inorganic Chemistry Communications 化学-无机化学与核化学

CiteScore

5.50

自引率

7.90%

发文量

1013

审稿时长

53 days

期刊介绍： Launched in January 1998, Inorganic Chemistry Communications is an international journal dedicated to the rapid publication of short communications in the major areas of inorganic, organometallic and supramolecular chemistry. Topics include synthetic and reaction chemistry, kinetics and mechanisms of reactions, bioinorganic chemistry, photochemistry and the use of metal and organometallic compounds in stoichiometric and catalytic synthesis or organic compounds.