How does NMR support SARS-CoV-2 protein-ligand interaction studies?

IF 3.8 2区化学 Q1 BIOCHEMICAL RESEARCH METHODS

Analytical and Bioanalytical Chemistry Pub Date : 2025-10-09 DOI:10.1007/s00216-025-06081-x

Norazlan Mohmad Misnan, Azira Muhamad, Mohd Ridzuan Mohd Abd Razak, Kok Wai Lam

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引用次数: 0

Abstract

The COVID-19 pandemic has highlighted the urgent need for effective antiviral strategies against SARS-CoV-2. Nuclear magnetic resonance (NMR) spectroscopy has played a critical role by providing detailed insights into protein-ligand interactions at atomic resolution. This review compiles and critically evaluates recent NMR-based findings, highlighting how these studies have supported the identification and optimization of antiviral compounds targeting viral proteins involved in replication and immune evasion. By revealing structural and dynamic details, NMR has significantly advanced structure-based drug design and enhanced the selection of promising antiviral candidates. Integration of NMR with complementary experimental methods has further improved our understanding of small molecule interactions and mechanisms of action. Looking forward, the review emphasizes the need for greater translational application of NMR findings through interdisciplinary collaboration and recommends increased integration with clinical and preclinical research. These recommendations aim to fully harness NMR's potential, thereby strengthening preparedness for future viral threats and guiding current therapeutic development efforts.

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核磁共振如何支持SARS-CoV-2蛋白-配体相互作用研究？

COVID-19大流行凸显了对SARS-CoV-2有效抗病毒策略的迫切需要。核磁共振（NMR）光谱学通过在原子分辨率上提供蛋白质-配体相互作用的详细见解发挥了关键作用。这篇综述汇编并批判性地评估了最近基于核磁共振的发现，强调了这些研究如何支持靶向参与复制和免疫逃避的病毒蛋白的抗病毒化合物的鉴定和优化。通过揭示结构和动态细节，核磁共振显著推进了基于结构的药物设计，增强了有前途的抗病毒候选药物的选择。核磁共振与互补实验方法的结合进一步提高了我们对小分子相互作用和作用机制的理解。展望未来，该综述强调需要通过跨学科合作将核磁共振发现更大的转化应用，并建议加强与临床和临床前研究的整合。这些建议旨在充分利用核磁共振的潜力，从而加强对未来病毒威胁的准备，并指导当前的治疗开发工作。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Analytical and Bioanalytical Chemistry 化学-分析化学

CiteScore

8.00

自引率

4.70%

发文量

638

审稿时长

2.1 months

期刊介绍： Analytical and Bioanalytical Chemistry’s mission is the rapid publication of excellent and high-impact research articles on fundamental and applied topics of analytical and bioanalytical measurement science. Its scope is broad, and ranges from novel measurement platforms and their characterization to multidisciplinary approaches that effectively address important scientific problems. The Editors encourage submissions presenting innovative analytical research in concept, instrumentation, methods, and/or applications, including: mass spectrometry, spectroscopy, and electroanalysis; advanced separations; analytical strategies in “-omics” and imaging, bioanalysis, and sampling; miniaturized devices, medical diagnostics, sensors; analytical characterization of nano- and biomaterials; chemometrics and advanced data analysis.