Synthesis and In Silico Study of Silver Nanoparticles Composite with Novel Schiff Base

Q3 Materials Science

Macromolecular Symposia Pub Date : 2025-02-17 DOI:10.1002/masy.202400234

Nuaman F. Alheety, Hanan Altaif Yassin, Ahmed J. Karakosh, Bilal J. M. Aldahham, Samer H. Ali, Khalid Dfeek Ahmed, Bilal A. Dylan, Huda A. Nuaman, Mustafa A. Alheety

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Abstract

The study includes preparations of compound N1 (hydrazinecarbothiohydrazide) that is yielded from reacting carbon disulfide with 80% aqueous hydrazine. The resulting compound is used to prepare N2 (MBHCH) by the treatment of N1 with compound 4-(methylthio)benzaldehyde. The newly prepared compound is Schiff base (N2). Furthermore, silver nanoparticles (N3) are prepared by the reaction of silver nitrate with aqueous extract of Stachys arabica leaves (reducing agent). Reacting of silver nanoparticles with compound N2 gave the compound N4. The prepared compounds are characterized using various techniques FT-IR, ¹H-NMR, XRD and TEM. Moreover, the DFT, ADMET, and molecular docking are examined for the organic molecules. The results prove that the docking scores are −7.40, −5.83, and −5.98 against tyrosyl-tRNA synthetase (S. aureus), peptidoglycan glycosyltransferase (E. coli), and AcrAB-TolC efflux pump (E. coli).

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新型席夫碱纳米银复合材料的合成及硅内研究

该研究包括由二硫化碳与80%的水联氨反应生成化合物N1（肼碳硫代肼）的制备。用化合物4-（甲基硫代）苯甲醛处理N1制备N2 （MBHCH）。新制备的化合物为席夫碱（N2）。在此基础上，以硝酸银为还原剂，与阿拉比卡咖啡豆的水提物反应制备纳米银（N3）。银纳米粒子与化合物N2反应得到化合物N4。用FT-IR、1H-NMR、XRD和TEM等技术对所制备的化合物进行了表征。此外，对有机分子的DFT、ADMET和分子对接进行了检测。结果表明，对酪氨酸- trna合成酶（金黄色葡萄球菌）、肽聚糖糖基转移酶（大肠杆菌）和AcrAB-TolC外排泵（大肠杆菌）的对接得分分别为−7.40、−5.83和−5.98。

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来源期刊

Macromolecular Symposia Materials Science-Polymers and Plastics

CiteScore

1.50

自引率

0.00%

发文量

226

期刊介绍： Macromolecular Symposia presents state-of-the-art research articles in the field of macromolecular chemistry and physics. All submitted contributions are peer-reviewed to ensure a high quality of published manuscripts. Accepted articles will be typeset and published as a hardcover edition together with online publication at Wiley InterScience, thereby guaranteeing an immediate international dissemination.