ArticleFrontiers in chemistry2026
SARS-CoV-2 Mpro inhibitors from
Article in Frontiers in chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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13 authors.
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Abstract
Background: The COVID-19 pandemic caused by SARS-CoV-2 underscores the urgent need for novel antiviral agents. Preliminary screening indicated that the traditional Chinese medicine Methods: To identify the active constituents responsible for its anti-SARS-CoV-2 activity, we employed an integrated strategy combining bio-layer interferometry (BLI) and ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS). Results: Two phenolic compounds, verbascoside and 3,4-dicaffeoylquinic acid, were successfully fished out and identified from the ethanol extract as the most potent binders to Mpro. The binding affinities (KD) were determined to be 2.149 × 10 Conclusion: Our findings demonstrate that verbascoside and 3,4-dicaffeoylquinic acid exhibit high binding affinity and structural stability against SARS-CoV-2 Mpro, highlighting their potential as lead compounds for inhibiting viral replication. Furthermore, the comprehensive strategy established in this study provides a reliable and efficient approach for identifying bioactive components from complex herbal matrices, offering new perspectives and a scientific basis for the development of natural product-derived targeted therapeutics.
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