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The compounds, discovered using a novel fragment\u2010based pharmacophore virtual screening workflow named FragmentScout, enable the advancement of novel antiviral agents. FragmentScout uses publicly accessible structural data of the SARS\u2010CoV\u20102 NSP13 helicase, which was previously generated at the Diamond LightSource by XChem high\u2010throughput crystallographic fragment screening. The workflow generates a joint pharmacophore query for each binding site, thereby aggregating the pharmacophore feature information present in each experimental fragment pose. The joint pharmacophore query is then used to search 3D conformational databases using the Inte:ligand LigandScout XT software. The FragmentScout in silico workflow offers a novel tool for identifying micromolar hits from millimolar fragments in fragment\u2010based lead discovery. It is anticipated that this workflow will enhance systematic data mining of the growing collection of XChem datasets.<\/jats:p>","DOI":"10.1002\/jcc.70201","type":"journal-article","created":{"date-parts":[[2025,9,5]],"date-time":"2025-09-05T11:34:19Z","timestamp":1757072059000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["A New Fragment\u2010Based Pharmacophore Virtual Screening Workflow Identifies Potent Inhibitors of\n                    <scp>SARS<\/scp>\n                    \u2010\n                    <scp>CoV<\/scp>\n                    \u20102\n                    <scp>NSP13<\/scp>\n                    Helicase"],"prefix":"10.1002","volume":"46","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1707-0174","authenticated-orcid":false,"given":"Jordi","family":"Doijen","sequence":"first","affiliation":[{"name":"Johnson &amp; Johnson  Beerse 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