Efficient catalytic and antimicrobial activity of polyvinylpyrrolidone-capped silver oxide with molecular docking analysis

IF 3.4 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Journal of the Indian Chemical Society Pub Date : 2025-02-22 DOI:10.1016/j.jics.2025.101643

Muhammad Ikram , Tahira Shujah , Ali Haider , Anum Shahzadi , Mudassir Hassan , Anwar Ul-Hamid , Hameed Ullah , Mouna Jeridi

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Abstract

In this study, polyvinylpyrrolidone (PVP)-capped silver oxide (AgO) nanostructures were synthesized with co-precipitation method. The presence of silver nanoparticles in AgO makes them unstable because of high surface energy and tends to agglomerate. This research aims to synthesize less toxic, cost-effective AgO nanoparticles and modify the surface properties with polymer doping. Monoclinic structure of AgO was confirmed through XRD analysis and no structure change was observed with PVP. With dopant, bandgap energy (Eg) was decreased from 3.04 to 2.95 eV. PVP-modified AgO nanostructure showed maximum degradation of RhB dye in neutral media with an efficacy of 81.44 % and significant antimicrobial zones (7.45 ± 0.04–9.75 ± 0.02) against S. aureus in maximum concentrations. Molecular docking validated the inhibitory impact of PVP-AgO articulating their bactericide influence for DNA gyrase and tyrosyl-tRNA synthetase in S. aureus.

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聚乙烯吡咯烷酮包覆氧化银的高效催化和抗菌活性及其分子对接分析

本研究采用共沉淀法合成了聚乙烯吡咯烷酮（PVP）包封的氧化银（AgO）纳米结构。银纳米粒子在AgO中的存在使其由于高表面能而不稳定，并倾向于团聚。本研究旨在合成低毒性、低成本的AgO纳米颗粒，并通过聚合物掺杂修饰其表面性能。通过XRD分析证实了AgO的单斜晶型结构，PVP对AgO的结构没有影响。掺杂后，带隙能（Eg）由3.04 eV降至2.95 eV。pvp修饰的AgO纳米结构在中性介质中对RhB染料的降解率最高，达到81.44%，在最大浓度下对金黄色葡萄球菌具有显著的抑菌区（7.45±0.04 ~ 9.75±0.02）。分子对接验证了PVP-AgO对金黄色葡萄球菌DNA旋切酶和酪氨酸- trna合成酶的抑菌作用。

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来源期刊

Journal of the Indian Chemical Society 化学-化学综合

CiteScore

3.50

自引率

7.70%

发文量

492

审稿时长

3-8 weeks

期刊介绍： The Journal of the Indian Chemical Society publishes original, fundamental, theorical, experimental research work of highest quality in all areas of chemistry, biochemistry, medicinal chemistry, electrochemistry, agrochemistry, chemical engineering and technology, food chemistry, environmental chemistry, etc.