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由尖孢镰刀菌产生的银纳米粒子的制备、表征和抗菌活性,以及通过计算方法监测蛋白质-配体相互作用。

Production, characterization and antibacterial activity of silver nanoparticles produced by Fusarium oxysporum and monitoring of protein-ligand interaction through in-silico approaches.

机构信息

Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Lucknow, 226028, India; Integral University, Kursi Road, Lucknow, 226021, India.

Amity Institute of Biotechnology, Amity University Uttar Pradesh, Lucknow Campus, Lucknow, 226028, India.

出版信息

Microb Pathog. 2019 Apr;129:136-145. doi: 10.1016/j.micpath.2019.02.013. Epub 2019 Feb 10.

Abstract

The present study envisages biological production of silver nanoparticles using Fusarium oxysporum and in-silico identification of the antibacterial activity of the nanoparticles using protein-ligand interaction studies. The morphology of the nanoparticles was variable, with majority of them spherical in the size range 1-50 nm. For in-silico studies, two microorganisms, Escherichia coli and Pseudomonas aeruginosa were selected and metal docking was carried out using the licensed software SYBYL X 1.1.1. The ligand docked deeply into the binding pockets of the outer membrane proteins (OMPs) of both E. coli and P. aeruginosa. The results showed that silver may prove to be a strong antibacterial agent against both the pathogens, with the antibacterial action of silver being greater in the case of P. aeruginosa. The results obtained through in-silico studies were further validated by in-vitro approaches on both solid and liquid media to confirm the results obtained by in-silico analysis. The corroboration of in-silico and in-vitro results amply demonstrates the immense antibacterial potential of silver nanoparticles against the selected pathogens.

摘要

本研究旨在利用尖孢镰刀菌生物合成银纳米粒子,并通过蛋白-配体相互作用研究,对纳米粒子的抗菌活性进行计算机模拟鉴定。纳米粒子的形态多样,大多数呈球形,尺寸在 1-50nm 范围内。在计算机模拟研究中,选择了两种微生物,大肠杆菌和铜绿假单胞菌,并使用许可证软件 SYBYL X 1.1.1 进行金属对接。配体深入结合到了大肠杆菌和铜绿假单胞菌的外膜蛋白(OMPs)的结合口袋中。结果表明,银可能对这两种病原体都是一种强有力的抗菌剂,而在铜绿假单胞菌的情况下,银的抗菌作用更强。通过计算机模拟研究获得的结果,通过固体和液体培养基上的体外方法进行了进一步验证,以确认计算机分析获得的结果。计算机模拟和体外结果的相互印证充分证明了银纳米粒子对所选病原体的巨大抗菌潜力。

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