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<p>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&#xa0;harness NMR’s potential, thereby strengthening preparedness for future viral threats and guiding current therapeutic development efforts.</p> Graphical abstract <p></p>

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

  • 期刊论文

  • 发表日期：

    2025年10月9日

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

摘要

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.

Graphical abstract