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槲皮素与银纳米颗粒共轭增强脲酶抑制活性:合成、表征及密度泛函理论研究

Enhanced urease inhibitory activity of quercetin via conjugation with silver nanoparticles: synthesis, characterization, and DFT study.

作者信息

Asadi Shayan, Rostamizadeh Kobra, Bahrami Hamed, Amanlou Massoud, Salehabadi Hafezeh

机构信息

Department of Medicinal Chemistry, School of Pharmacy, Zanjan University of Medical Sciences, Zanjan, Iran.

Zanjan Applied Pharmacology Research Center, Zanjan University of Medical Sciences, Zanjan, Iran.

出版信息

Sci Rep. 2025 Apr 7;15(1):11892. doi: 10.1038/s41598-025-96684-2.

Abstract

Urease plays a crucial role in the survival and colonization of Helicobacter pylori (H. pylori). Consequently, urease inhibitors are important in managing various diseases associated with H. pylori infection. Given the widespread use of silver nanoparticles (AgNPs) as antibacterial agents and quercetin's known urease inhibitory properties, we sought to develop a potent urease inhibitor by conjugating quercetin onto AgNPs. In fact, this study aimed to enhance the urease inhibitory activity of quercetin through its conjugation with AgNPs. Quercetin-loaded silver nanoparticles (Ag@QNPs) were successfully synthesized using the Frens method and characterized using various techniques, including UV-Vis spectroscopy, FT-IR spectroscopy, XRD analysis, DLS, and TEM. The urease inhibitory activity of Ag@QNPs was significantly higher (approximately 250 times) than that of pure quercetin, demonstrating a synergistic effect. In contrast, AgNPs alone exhibited minimal inhibitory activity against urease. Density functional theory (DFT) calculations revealed a favorable interaction energy between quercetin and the silver surface. These findings suggest the potential of Ag@QNPs as promising nanomaterials for applications in urease-related diseases.

摘要

尿素酶在幽门螺杆菌(H. pylori)的生存和定植中起着关键作用。因此,尿素酶抑制剂在治疗与幽门螺杆菌感染相关的各种疾病中具有重要意义。鉴于银纳米颗粒(AgNPs)作为抗菌剂的广泛应用以及槲皮素已知的尿素酶抑制特性,我们试图通过将槲皮素与AgNPs偶联来开发一种有效的尿素酶抑制剂。事实上,本研究旨在通过槲皮素与AgNPs的偶联来增强其尿素酶抑制活性。采用Frens法成功合成了负载槲皮素的银纳米颗粒(Ag@QNPs),并使用包括紫外可见光谱、傅里叶变换红外光谱、X射线衍射分析、动态光散射和透射电子显微镜等多种技术对其进行了表征。Ag@QNPs的尿素酶抑制活性显著高于纯槲皮素(约250倍),显示出协同效应。相比之下,单独的AgNPs对尿素酶表现出最小的抑制活性。密度泛函理论(DFT)计算揭示了槲皮素与银表面之间有利的相互作用能。这些发现表明Ag@QNPs作为有前途的纳米材料在尿素酶相关疾病应用中的潜力。

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