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开发一种灵敏的双链 DNA/金纳米粒子/ PGE 生物传感器,用于通过电化学和分子动力学模拟研究来测定丁丙诺啡。

Development of a sensitive ds-DNA/Au NPs/ PGE biosensor for determination of Buprenorphine using electrochemical and molecular dynamic simulation investigation.

机构信息

Chemistry Department, Faculty of Science, Shahid Bahonar University of Kerman, Kerman, Iran; Young Researchers Society, Shahid Bahonar University of Kerman, Kerman, Iran.

Chemistry Department, Faculty of Science, Shahid Bahonar University of Kerman, Kerman, Iran.

出版信息

Bioelectrochemistry. 2024 Dec;160:108783. doi: 10.1016/j.bioelechem.2024.108783. Epub 2024 Jul 26.

DOI:10.1016/j.bioelechem.2024.108783
PMID:39079286
Abstract

A sensitive electrochemical DNA biosensor has been developed for the detection of Buprenorphine (Bu), a narcotic pain reliever. To achieve this, double-stranded DNA (ds-DNA) was immobilized on a pencil graphite electrode that was modified with gold nanoparticles (Au NPs/PGE). The gold nanoparticles enhanced the performance of the DNA biosensor. The constructed ds-DNA/Au NPs/ PGE exhibited a linear detection range spanning from 0.05 to 100 μM with an impressive detection limit of 20 nM for Bu detection. Additionally, the DNA biosensor demonstrated good response in real samples evaluations. Finally, the interaction between carbon and gold atoms with DNA was confirmed through molecular dynamics simulation, while the interaction between DNA and the Bu drug was confirmed through molecular docking method. In conclusion, the electrochemical DNA biosensor presented in this study demonstrates exceptional sensitivity and reliability in the detection of buprenorphine. The incorporation of gold nanoparticles, as well as the use of molecular dynamics simulations and docking methods, contributes to a comprehensive understanding of the interactions involved in this detection process.

摘要

一种灵敏的电化学 DNA 生物传感器已被开发用于检测丁丙诺啡(Bu),一种麻醉性止痛药。为了实现这一目标,双链 DNA(ds-DNA)被固定在经过金纳米粒子(Au NPs/PGE)修饰的铅笔状石墨电极上。金纳米粒子增强了 DNA 生物传感器的性能。构建的 ds-DNA/Au NPs/PGE 表现出从 0.05 到 100 μM 的线性检测范围,Bu 检测的令人印象深刻的检测限为 20 nM。此外,该 DNA 生物传感器在实际样品评估中表现出良好的响应。最后,通过分子动力学模拟证实了碳和金原子与 DNA 之间的相互作用,而通过分子对接方法证实了 DNA 与 Bu 药物之间的相互作用。总之,本研究中提出的电化学 DNA 生物传感器在检测丁丙诺啡方面表现出了出色的灵敏度和可靠性。金纳米粒子的引入,以及分子动力学模拟和对接方法的使用,有助于全面了解这一检测过程中涉及的相互作用。

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