Formulation of naphthol-derived 1,2,3-triazole: A ‘turn-on’ chemosensor for Zr(IV) with anti-cancer and anti-bacterial activities

IF 3.2 2区化学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY

Journal of Inorganic Biochemistry Pub Date : 2025-05-10 DOI:10.1016/j.jinorgbio.2025.112944

Gurjaspreet Singh , Komal , Anu Radha , Harshbir Kaur , Bhavana Rani , Baljinder Singh Gill , Deepanjali Baliyan , Amarjit Kaur , Brij Mohan

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Abstract

On prolonged exposure, transition metals can have detrimental effects on the environment as well as humans. However, this led to the idea for the synthesis of a chemosensor for Zr(IV) detection which is a well-known hard transition metal. In this current article, we have synthesized Naphthol-derived 1,2,3-triazole (NPTZ) via click chemistry which was characterized with the help of (NMR, FT-IR) spectroscopy, TGA studies, and mass spectral analysis. The photophysical studies had shown a great chemosensitivity towards Zr(IV) with non-interference of other metal cations. In addition, NPTZ has efficient LOD values of 26 nM (absorption analysis) and 478.6 nM (emission analysis). The Stable coordination complex of NPTZ-Zr(IV) was synthesized with a stoichiometry of 1:1 by utilizing Job's plot approach. Moreover, the NPTZ also demonstrates notable biological significance, including substantial anti-cancer and anti-microbial properties. In order to this, Molecular docking was performed which showed a considerable docking score of binding energies −8.84 kcal/mol (PDB ID-2R3I) and − 7.73 kcal/mol (PDB ID–4OZ5) with high values of inhibition constants.

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萘酚衍生的1,2,3-三唑的研制：一种具有抗癌和抗菌活性的Zr（IV）“开启”化学传感器

如果长期接触，过渡金属会对环境和人类产生有害影响。然而，这导致了合成一种化学传感器用于Zr（IV）检测的想法，Zr（IV）是一种众所周知的硬过渡金属。在本文中，我们通过点击化学合成了萘酚衍生的1,2,3-三唑（NPTZ），并通过NMR， FT-IR， TGA和质谱分析对其进行了表征。光物理研究表明，该材料对Zr（IV）具有良好的化学敏感性，且不受其他金属阳离子的干扰。此外，NPTZ的有效LOD值为26 nM（吸收分析）和478.6 nM（发射分析）。采用约伯图法合成了NPTZ-Zr（IV）的稳定配位配合物，其化学计量比为1:1。此外，NPTZ还显示出显著的生物学意义，包括实质性的抗癌和抗微生物特性。为此，进行了分子对接，结果显示，结合能为- 8.84 kcal/mol （PDB ID-2R3I）和- 7.73 kcal/mol (PDB ID-4OZ5)，具有较高的抑制常数值。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Inorganic Biochemistry 生物-生化与分子生物学

CiteScore

7.00

自引率

10.30%

发文量

336

审稿时长

41 days

期刊介绍： The Journal of Inorganic Biochemistry is an established international forum for research in all aspects of Biological Inorganic Chemistry. Original papers of a high scientific level are published in the form of Articles (full length papers), Short Communications, Focused Reviews and Bioinorganic Methods. Topics include: the chemistry, structure and function of metalloenzymes; the interaction of inorganic ions and molecules with proteins and nucleic acids; the synthesis and properties of coordination complexes of biological interest including both structural and functional model systems; the function of metal- containing systems in the regulation of gene expression; the role of metals in medicine; the application of spectroscopic methods to determine the structure of metallobiomolecules; the preparation and characterization of metal-based biomaterials; and related systems. The emphasis of the Journal is on the structure and mechanism of action of metallobiomolecules.