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一种快速设计可检测新型冠状病毒表面蛋白S的肽的计算方法。

A computational approach to rapidly design peptides that detect SARS-CoV-2 surface protein S.

作者信息

Hajikarimlou Maryam, Hooshyar Mohsen, Moutaoufik Mohamed Taha, Aly Khaled A, Azad Taha, Takallou Sarah, Jagadeesan Sasi, Phanse Sadhna, Said Kamaledin B, Samanfar Bahram, Bell John C, Dehne Frank, Babu Mohan, Golshani Ashkan

机构信息

Ottawa Institute of Systems Biology, University of Ottawa, Health Science Campus, Ottawa, Ontario, Canada.

Department of Biochemistry, Research and Innovation Centre, University of Regina, Regina, Canada.

出版信息

NAR Genom Bioinform. 2022 Aug 22;4(3):lqac058. doi: 10.1093/nargab/lqac058. eCollection 2022 Sep.

DOI:10.1093/nargab/lqac058
PMID:36004308
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9394169/
Abstract

The coronavirus disease 19 (COVID-19) caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) prompted the development of diagnostic and therapeutic frameworks for timely containment of this pandemic. Here, we utilized our non-conventional computational algorithm, InSiPS, to rapidly design and experimentally validate peptides that bind to SARS-CoV-2 spike (S) surface protein. We previously showed that this method can be used to develop peptides against yeast proteins, however, the applicability of this method to design peptides against other proteins has not been investigated. In the current study, we demonstrate that two sets of peptides developed using InSiPS method can detect purified SARS-CoV-2 S protein via ELISA and Surface Plasmon Resonance (SPR) approaches, suggesting the utility of our strategy in real time COVID-19 diagnostics. Mass spectrometry-based salivary peptidomics shortlist top SARS-CoV-2 peptides detected in COVID-19 patients' saliva, rendering them attractive SARS-CoV-2 diagnostic targets that, when subjected to our computational platform, can streamline the development of potent peptide diagnostics of SARS-CoV-2 variants of concern. Our approach can be rapidly implicated in diagnosing other communicable diseases of immediate threat.

摘要

由严重急性呼吸综合征冠状病毒2(SARS-CoV-2)引起的冠状病毒病19(COVID-19)促使人们建立诊断和治疗框架,以便及时控制这一疫情。在此,我们利用我们的非常规计算算法InSiPS,快速设计并通过实验验证了与SARS-CoV-2刺突(S)表面蛋白结合的肽。我们之前表明,该方法可用于开发针对酵母蛋白的肽,然而,该方法在设计针对其他蛋白的肽方面的适用性尚未得到研究。在当前研究中,我们证明使用InSiPS方法开发的两组肽可通过酶联免疫吸附测定(ELISA)和表面等离子体共振(SPR)方法检测纯化的SARS-CoV-2 S蛋白,这表明我们的策略在实时COVID-19诊断中的实用性。基于质谱的唾液肽组学筛选出了在COVID-19患者唾液中检测到的顶级SARS-CoV-2肽,使其成为有吸引力的SARS-CoV-2诊断靶点,当将这些靶点应用于我们的计算平台时,可简化对关注的SARS-CoV-2变体的有效肽诊断的开发。我们的方法可迅速用于诊断其他具有直接威胁的传染病。

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