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It is recognized that the SARS-CoV-2 virus adeptly evades the host-cell immune defense. Nsp13, the SARS-CoV-2 helicase, plays a crucial role in this evasion process. Targeting this protein is a central component in developing strategies to counteract viral invasion, especially as the extremely high similarity between SARS-Cov and SARS-CoV-2 Nsp13 (difference by only one amino acid residue) implies that potential inhibitors of the helicase could be effective against future strains. In this study, we present the outcomes of an extensive in silico screening for potential inhibitors of this viral protein among known natural and synthetic substances. Despite revealing an unknown antiviral mechanism of action for Ritonavir (Norvir), the evaluated scores, even for approved medications, suggest designing Nsp13 inhibitors in the class of peptide-based pharmaceuticals as a promising strategy.

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In Silico Screening for Potential Inhibitors of the SARS-CoV-2 Helicase Nsp13

  • 会议论文

  • 发表日期：

    2025年

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  • M. Rangelov,
  • N. Todorova,
  • P. Petkov,
  • T. Nedeva,
  • N. Ilieva,
  • E. Lilkova,
  • E. Krachmarova,
  • L. Litov

摘要

It is recognized that the SARS-CoV-2 virus adeptly evades the host-cell immune defense. Nsp13, the SARS-CoV-2 helicase, plays a crucial role in this evasion process. Targeting this protein is a central component in developing strategies to counteract viral invasion, especially as the extremely high similarity between SARS-Cov and SARS-CoV-2 Nsp13 (difference by only one amino acid residue) implies that potential inhibitors of the helicase could be effective against future strains. In this study, we present the outcomes of an extensive in silico screening for potential inhibitors of this viral protein among known natural and synthetic substances. Despite revealing an unknown antiviral mechanism of action for Ritonavir (Norvir), the evaluated scores, even for approved medications, suggest designing Nsp13 inhibitors in the class of peptide-based pharmaceuticals as a promising strategy.