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壳聚糖银纳米粒子的合成与表征,用苯并二恶烷偶联哌嗪作为一种有效的抗耐甲氧西林金黄色葡萄球菌生物膜剂:分子对接和动力学的验证。

Synthesis and characterization of chitosan silver nanoparticle decorated with benzodioxane coupled piperazine as an effective anti-biofilm agent against MRSA: A validation of molecular docking and dynamics.

机构信息

Department of Chemistry, SJCE, JSS Science and Technology University, Mysuru 570 006, Karnataka, India.

Ganesh Consultancy and Analytical Services, Hebbal Industrial Area, Mysuru 570016, Karnataka, India.

出版信息

Int J Biol Macromol. 2021 Jun 30;181:540-551. doi: 10.1016/j.ijbiomac.2021.03.119. Epub 2021 Mar 23.

DOI:10.1016/j.ijbiomac.2021.03.119
PMID:33766592
Abstract

Biomaterial research has improved the delivery and efficacy of drugs over a wide range of pharmaceutical applications. The objective of this study was to synthesize benzodioxane coupled piperazine decorated chitosan silver nanoparticle (BcpC@AgNPs) against methicillin-resistant Staphylococcus aureus (MRSA) and to assess the nanoparticle as an effective candidate for antibacterial and anti-biofilm care. Antibacterial activity of the compound was examined and minimum inhibitory concentration (MIC) was observed at (10.21 ± 0.03 ZOI) a concentration of 200 μg/mL. The BcpC@AgNPs interferes with surface adherence of MRSA, suggesting an anti-biofilm distinctive property that is verified for the first time by confocal laser microscopic studies. By ADMET studies the absorption, distribution, metabolism, excretion and toxicity of the compound was examined. The interaction solidity and the stability of the compound when surrounded by water molecules were analyzed by docking and dynamic simulation analysis. The myoblast cell line (L6) was considered for toxicity study and was observed that the compound exhibited less toxic effect. This current research highlights the biocidal efficiency of Bcp*C@AgNPs with their bactericidal and anti-biofilm properties over potential interesting clinical trial targets in future.

摘要

生物材料研究在广泛的药物应用中提高了药物的传递和疗效。本研究的目的是合成苯并二氧杂环戊烷偶联哌嗪修饰壳聚糖银纳米粒子(BcpC@AgNPs),以对抗耐甲氧西林金黄色葡萄球菌(MRSA),并评估该纳米粒子作为一种有效的抗菌和抗生物膜护理候选物。研究了该化合物的抗菌活性,观察到最低抑菌浓度(MIC)在 200μg/mL 浓度下为(10.21±0.03 ZOI)。BcpC@AgNPs 干扰 MRSA 的表面附着,这表明其具有抗生物膜特性,这是首次通过共聚焦激光显微镜研究得到证实。通过 ADMET 研究,对化合物的吸收、分布、代谢、排泄和毒性进行了研究。通过对接和动态模拟分析,研究了化合物在被水分子包围时的固体相互作用和稳定性。肌母细胞系(L6)被认为用于毒性研究,结果表明该化合物表现出较低的毒性作用。本研究强调了 Bcp*C@AgNPs 的杀菌效率及其杀菌和抗生物膜特性,这为未来有潜力的临床试验目标提供了依据。

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