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Computational repurposing of polyphenols for anti-Mpoxviral activity

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dc.contributor.authorAstakala, Rishi Vachaspathy
dc.contributor.authorPreet, Gagan
dc.contributor.authorHaj Hasan, Ahlam Wajeeh
dc.contributor.authorDesai, Ria
dc.contributor.authorAlfurayh, Meshari Abdulaziz S
dc.contributor.authorEbel, Rainer
dc.contributor.authorJaspars, Marcel
dc.contributor.institutionUniversity of Aberdeen.Natural & Computing Sciencesen
dc.contributor.institutionUniversity of Aberdeen.Chemistryen
dc.contributor.institutionUniversity of Aberdeen.Medicine, Medical Sciences & Nutritionen
dc.date.accessioned2025-05-21T09:24:01Z
dc.date.available2025-05-21T09:24:01Z
dc.date.issued2025-08
dc.descriptionOpen Access via the Springer Nature Agreement We acknowledge Aparna Koride, Vyjayanthi Kesiraju, and Ravi Kondapalli for their continued support. We also acknowledge P.S. Oberoi, Russell Gray, and Albrn Care Indiaen
dc.description.statusPeer revieweden
dc.format.extent19
dc.format.extent5439694
dc.identifier302907902
dc.identifier00cf7f09-f067-4cdb-bcd4-7814eabb4530
dc.identifier40255263
dc.identifier.citationAstakala, R V, Preet, G, Haj Hasan, A W, Desai, R, Alfurayh, M A S, Ebel, R & Jaspars, M 2025, 'Computational repurposing of polyphenols for anti-Mpoxviral activity', In Silico Pharmacology , vol. 13, no. 2, 65. https://doi.org/10.1007/s40203-025-00345-1en
dc.identifier.doi10.1007/s40203-025-00345-1
dc.identifier.iss2en
dc.identifier.issn2193-9616
dc.identifier.otherORCID: /0000-0002-2426-6028/work/184793871
dc.identifier.otherORCID: /0000-0002-7978-7306/work/184793969
dc.identifier.otherORCID: /0000-0003-4034-1873/work/189638313
dc.identifier.urihttps://hdl.handle.net/2164/25485
dc.identifier.vol13en
dc.language.isoeng
dc.relation.ispartofIn Silico Pharmacologyen
dc.subjectSDG 3 - Good Health and Well-beingen
dc.subjectMpoxen
dc.subjectOrthopoxvirusen
dc.subjectPolyphenolsen
dc.subjectVirtual screeningen
dc.subjectMolecular dynamicsen
dc.subjectPharmacophoreen
dc.subjectStructure-Activity Relationshipen
dc.subjectR Medicine (General)en
dc.subjectSupplementary Dataen
dc.subjectDASen
dc.subject.lccR1en
dc.titleComputational repurposing of polyphenols for anti-Mpoxviral activityen
dc.typeJournal articleen

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