Structure-based multi-pocket virtual screening identifies FDA-approved candidate compounds targeting MPXV thymidylate kinase. (PubMed, Front Cell Infect Microbiol) - Sep 30, 2026 - "Virtual screening identified several prioritized candidates, among which capmatinib (DB11791), nebivolol (DB04861), and tucatinib (DB11652) consistently ranked highly across multiple pockets. More broadly, the combined multi-pocket consensus screening and dynamic evaluation strategy provides a computational framework for antiviral drug repurposing. Further experimental validation is required to confirm the antiviral activity of these candidates."
FDA event • Journal • Preclinical • Infectious Disease
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Hanwen Lu; Xiaodong Li; Zhanxiang Wang
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