dc.contributor.author | Preet, Gagan | |
dc.contributor.author | Oluwabusola, Emmanuel T. | |
dc.contributor.author | Milne, Bruce F. | |
dc.contributor.author | Ebel, Rainer | |
dc.contributor.author | Jaspars, Marcel | |
dc.date.accessioned | 2024-01-01T00:19:16Z | |
dc.date.available | 2024-01-01T00:19:16Z | |
dc.date.issued | 2022-11-18 | |
dc.identifier | 222725359 | |
dc.identifier | a184594d-330a-4aa7-9890-719f1e9d9ac5 | |
dc.identifier | 36430762 | |
dc.identifier | 85142654237 | |
dc.identifier.citation | Preet , G , Oluwabusola , E T , Milne , B F , Ebel , R & Jaspars , M 2022 , ' Computational Repurposing of Mitoxantrone-Related Structures against Monkeypox Virus : A Molecular Docking and 3D Pharmacophore Study ' , International Journal of Molecular Sciences , vol. 23 , no. 22 , 14287 . https://doi.org/10.3390/ijms232214287 | en |
dc.identifier.issn | 1422-0067 | |
dc.identifier.other | RIS: urn:3D2379FAB3B4A3F85BCAEF24C4B83EAB | |
dc.identifier.other | ORCID: /0000-0002-5522-4808/work/123099856 | |
dc.identifier.other | ORCID: /0000-0002-5522-4808/work/128822954 | |
dc.identifier.other | ORCID: /0000-0002-7978-7306/work/137298197 | |
dc.identifier.uri | http://aura-test.abdn.ac.uk/handle/2164/20036 | |
dc.description | Acknowledgments: A sincere thanks to P.S. Oberoi (I.C.A.R, N.D.R.I., India) and Rishi Vachaspathy Astakala (Marine Biodiscovery Centre, Department of Chemistry, University of Aberdeen, UK) for their constructive suggestions. Additionally, thank Nidhan Singh Oberoi and Albrn Care, India. Funding: B.F.M. acknowledges national funds from the Portuguese FCT—Fundação para a Ciência e a Tecnologia, I.P., within the projects UIDB/04564/2020 and UIDP/04564/2020. | en |
dc.format.extent | 15 | |
dc.format.extent | 3972328 | |
dc.language.iso | eng | |
dc.relation.ispartof | International Journal of Molecular Sciences | en |
dc.subject | SDG 3 - Good Health and Well-being | en |
dc.subject | in silico | en |
dc.subject | monkeypox | en |
dc.subject | drug repurposing | en |
dc.subject | epidemic | en |
dc.subject | pox viruses | en |
dc.subject | pharmacophore | en |
dc.subject | mitoxantrone | en |
dc.subject | molecular docking | en |
dc.subject | zoonotic | en |
dc.subject | R Medicine | en |
dc.subject | Supplementary Information | en |
dc.subject | https://www.mdpi.com/article/10.3390/ijms232214287/s1 | en |
dc.subject.lcc | R | en |
dc.title | Computational Repurposing of Mitoxantrone-Related Structures against Monkeypox Virus : A Molecular Docking and 3D Pharmacophore Study | en |
dc.type | Journal article | en |
dc.contributor.institution | University of Aberdeen.Chemistry | en |
dc.contributor.institution | University of Aberdeen.Natural & Computing Sciences | en |
dc.contributor.institution | University of Aberdeen.The Marine Biodiscovery Centre | en |
dc.description.status | Peer reviewed | en |
dc.identifier.doi | https://doi.org/10.3390/ijms232214287 | |
dc.identifier.vol | 23 | en |
dc.identifier.iss | 22 | en |