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基于计算机模拟的单分子蛋白质检测纳米孔传感器:研究进展。

Nanopore sensors for single molecular protein detection: Research progress based on computer simulations.

机构信息

State Key Laboratory of Bioelectronics, School of Biological Science and Medical Engineering, Southeast University, Nanjing, China.

出版信息

IET Nanobiotechnol. 2023 May;17(3):257-268. doi: 10.1049/nbt2.12124. Epub 2023 Mar 16.

DOI:10.1049/nbt2.12124
PMID:36924083
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10190502/
Abstract

As biological macromolecules, proteins are involved in important cellular functions ranging from DNA replication and biosynthesis to metabolic signalling and environmental sensing. Protein sequencing can help understand the relationship between protein function and structure, and provide key information for disease diagnosis and new drug design. Nanopore sensors are a novel technology to achieve the goal of label-free and high-throughput protein sequencing. In recent years, nanopore-based biosensors have been widely used in the detection and analysis of biomolecules such as DNA, RNA, and proteins. At the same time, computer simulations can describe the transport of proteins through nanopores at the atomic level. This paper reviews the applications of nanopore sensors in protein sequencing over the past decade and the solutions to key problems from a computer simulation perspective, with the aim of pointing the way to the future of nanopore protein sequencing.

摘要

作为生物大分子,蛋白质参与了从 DNA 复制和生物合成到代谢信号传递和环境感应等重要的细胞功能。蛋白质测序有助于理解蛋白质功能和结构之间的关系,并为疾病诊断和新药设计提供关键信息。纳米孔传感器是实现无标记和高通量蛋白质测序目标的一项新技术。近年来,基于纳米孔的生物传感器已广泛应用于 DNA、RNA 和蛋白质等生物分子的检测和分析。同时,计算机模拟可以在原子水平上描述蛋白质通过纳米孔的传输。本文综述了过去十年中纳米孔传感器在蛋白质测序中的应用,以及从计算机模拟角度解决关键问题的方法,旨在为纳米孔蛋白质测序的未来指明方向。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ece/10190502/6676dfaadff6/NBT2-17-257-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ece/10190502/19ba3e9245f7/NBT2-17-257-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ece/10190502/a73b80c2ff0f/NBT2-17-257-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ece/10190502/bc9fc113810e/NBT2-17-257-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ece/10190502/6676dfaadff6/NBT2-17-257-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ece/10190502/19ba3e9245f7/NBT2-17-257-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ece/10190502/a73b80c2ff0f/NBT2-17-257-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ece/10190502/bc9fc113810e/NBT2-17-257-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ece/10190502/6676dfaadff6/NBT2-17-257-g003.jpg

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1
Nanopore sensors for single molecular protein detection: Research progress based on computer simulations.基于计算机模拟的单分子蛋白质检测纳米孔传感器:研究进展。
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本文引用的文献

1
Navigated Delivery of Peptide to the Nanopore Using In-Plane Heterostructures of MoS and SnS for Protein Sequencing.利用 MoS 和 SnS 的面内异质结构对多肽进行导航输送,用于蛋白质测序。
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2
Velocity control of protein translocation through a nanopore by tuning the fraction of benzenoid residues.通过调节苯环残基的比例来控制蛋白质通过纳米孔的转运速度。
Nanoscale. 2021 Sep 23;13(36):15352-15361. doi: 10.1039/d1nr04492c.
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Nanoscale Infrared Spectroscopy and Chemometrics Enable Detection of Intracellular Protein Distribution.
纳米级红外光谱和化学计量学可用于检测细胞内蛋白质分布。
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Molecular dynamics discrimination of the conformational states of calmodulin through solid-state nanopores.通过固态纳米孔对钙调蛋白构象状态的分子动力学区分。
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Electrical recognition of the twenty proteinogenic amino acids using an aerolysin nanopore.利用 aerolysin 纳米孔对二十种蛋白质氨基酸进行电学识别。
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8
Insights into protein sequencing with an α-Hemolysin nanopore by atomistic simulations.通过原子模拟深入了解 α-溶血素纳米孔的蛋白质测序。
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9
Discrimination of Protein Amino Acid or Its Protonated State at Single-Residue Resolution by Graphene Nanopores.通过石墨烯纳米孔对单个残基分辨率下的蛋白质氨基酸或其质子化状态进行区分。
Small. 2019 Apr;15(14):e1900036. doi: 10.1002/smll.201900036. Epub 2019 Mar 8.
10
Coarse-grained molecular dynamics study of wettability influence on protein translocation through solid nanopores.粗粒化分子动力学研究润湿性对蛋白质通过固体纳米孔迁移的影响。
Nanotechnology. 2019 Apr 19;30(16):165701. doi: 10.1088/1361-6528/aafdd7. Epub 2019 Jan 11.