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LC\u2013ESI\u2013QTOF\u2013MS\/MS analysis identified 14 polyphenolic metabolites in <jats:italic>G. paraguayense<\/jats:italic>, including procyanidins and flavonol glucosides, compounds associated with anti\u2010coronavirus properties. These compounds were tested using molecular docking and ONIOM(B3LYP\/6\u201031+G(d,p):UFF) quantum chemical calculations to assess their binding affinity to eight SARS\u2010CoV\u20102 NSPs critical for viral replication and transcription. The results revealed that <jats:italic>G. paraguayense<\/jats:italic> compounds, such as procyanidin B2, kaempferol\u20103\u2010<jats:italic>O<\/jats:italic>\u2010glucoside, and epicatechin\u20103\u2010<jats:italic>O<\/jats:italic>\u2010galactoside, had strong binding affinities to NSP14, NSP5, and NSP15, respectively, suggesting their potential to inhibit viral replication. Compared to known NSP inhibitors from the RCSB Protein Data Bank, <jats:italic>G. paraguayense<\/jats:italic>\u2010derived compounds demonstrated comparable or superior interaction energies in several cases. This investigation highlights <jats:italic>G. paraguayense<\/jats:italic>'s therapeutic potential as a natural antiviral against SARS\u2010CoV\u20102. The findings provide new insights into the role of plant\u2010derived polyphenols in targeting viral proteins and contribute to further experimental and clinical studies to validate these compounds as candidates for anti\u2010coronavirus therapies.<\/jats:p>","DOI":"10.1002\/cbdv.202500259","type":"journal-article","created":{"date-parts":[[2025,3,11]],"date-time":"2025-03-11T19:53:25Z","timestamp":1741722805000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Quantum Chemical and Metabolomic Characterization of Inhibitory Activity of Procyanidins and Flavonol Glucosides From <i>Graptopetalum paraguayense<\/i> E. 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