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铜掺杂氧化锌纳米材料的合成、结构、分子对接及体外生物活性。

Synthesis, structural, molecular docking, and in vitro biological activities of Cu-doped ZnO nanomaterials.

机构信息

Microbial Genetics Department, Biotechnology Research Institute, National Research Centre, 33 El Bohouth St. (Former El Tahrir St.), P.O. 12622, Dokki, Cairo, Egypt.

Egypt Center for Research and Regenerative Medicine (ECRRM), Cairo, Egypt.

出版信息

Sci Rep. 2024 Apr 19;14(1):9027. doi: 10.1038/s41598-024-59088-2.

Abstract

Copper-doped ZnO nanoparticles with the formula ZnO, where x = 0.0, 0.03, 0.05, and 0.07 were produced using the co-precipitation process. Physical, chemical, and structural properties were properly examined. Powdered X-ray diffraction (P-XRD) patterns revealed the formation of hexagonal wurtzite crystal structure in all samples, through atomic substitutional incorporation in the Cu-doped ZnO lattice. The presence of Cu ions and their dissolution in the host ZnO crystal structure was supported by FT-IR spectra. HR-TEM images were used to assess the average size, morphology, and shape regularity of the synthesized samples. The form and homogeneity of the ZnO changed when Cu ions were substituted, as evidenced by FE-SEM/EDX analysis. The presence of copper signals in the Cu-doped samples indicates that the doping was successful. The decrease in zeta potential with an increased copper doping percentage designates that the nanoparticles (NPs) are more stable, which could be attributed to an increase in the ionic strength of the aqueous solution. The synthesized NPs were evaluated for their substantial in vitro antioxidant properties. In addition, the antimicrobial efficacy of the materials was tested against pathogenic microorganisms. Regarding the anti-diabetic activity, the 7Cu ZnO sample showed the highest inhibitory effect on the α-amylase enzyme. No variations were observed in the activities of the acetylcholinesterase enzyme (AChE) and proteinase enzymes with ZnO and samples doped with different concentrations of Cu. Therefore, further studies are recommended to reveal the in-vitro anti-diabetic activity of the studied doped samples. Finally, molecular docking provided valuable insights into the potential binding interactions of Cu-doped ZnO with α-amylase, FabH of E. coli, and Penicillin-binding proteins of S. aureus. These outcomes suggest that the prepared materials may have an inhibitory effect on enzymes and hold promise in the battle against microbial infections and diabetes.

摘要

采用共沉淀法制备了化学式为 ZnO 的掺铜 ZnO 纳米粒子,其中 x=0.0、0.03、0.05 和 0.07。对其物理、化学和结构性质进行了适当的研究。粉末 X 射线衍射(P-XRD)图谱表明,所有样品均形成了六方纤锌矿晶体结构,这是通过铜掺杂 ZnO 晶格中的原子取代实现的。FT-IR 光谱支持 Cu 离子的存在及其在宿主 ZnO 晶体结构中的溶解。高分辨率透射电子显微镜(HR-TEM)图像用于评估合成样品的平均尺寸、形态和形状规则性。FE-SEM/EDX 分析表明,当 Cu 离子取代时,ZnO 的形态和均匀性发生变化。掺铜样品中存在铜信号表明掺杂成功。随着铜掺杂百分比的增加,zeta 电位降低,这表明纳米粒子(NPs)更稳定,这可能归因于水溶液中离子强度的增加。评估了合成 NPs 的体外抗氧化性能。此外,还测试了材料对致病微生物的抗菌功效。关于抗糖尿病活性,7Cu ZnO 样品对α-淀粉酶酶表现出最高的抑制作用。ZnO 和不同浓度 Cu 掺杂的样品对乙酰胆碱酯酶(AChE)和蛋白酶酶的活性没有变化。因此,建议进行进一步的研究以揭示所研究的掺杂样品的体外抗糖尿病活性。最后,分子对接提供了有关 Cu 掺杂 ZnO 与α-淀粉酶、大肠杆菌 FabH 和金黄色葡萄球菌青霉素结合蛋白之间潜在结合相互作用的有价值的见解。这些结果表明,所制备的材料可能对酶具有抑制作用,并有望在对抗微生物感染和糖尿病方面发挥作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5b56/11031592/e44c2ae50f9b/41598_2024_59088_Fig1_HTML.jpg

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