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Pharmaceutical polymorph control in a drug-mimetic supramolecular gel

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dc.contributor Háskóli Íslands
dc.contributor University of Iceland
dc.contributor.author Foster, Jonathan A.
dc.contributor.author Damodaran, Krishna Kumar
dc.contributor.author Maurin, Antoine
dc.contributor.author Day, Graeme M.
dc.contributor.author Thompson, Hugh P. G.
dc.contributor.author Cameron, Gary J.
dc.contributor.author Bernal, Jenifer Cuesta
dc.contributor.author Steed, Jonathan W.
dc.date.accessioned 2017-08-23T15:29:52Z
dc.date.available 2017-08-23T15:29:52Z
dc.date.issued 2017
dc.identifier.citation Foster, J. A., Damodaran, K. K., Maurin, A., Day, G. M., Thompson, H. P. G., Cameron, G. J., . . . Steed, J. W. (2017). Pharmaceutical polymorph control in a drug-mimetic supramolecular gel. Chemical Science, 8(1), 78-84. doi:10.1039/C6SC04126D
dc.identifier.issn 2041-6520
dc.identifier.issn 2041-6539 (eISSN)
dc.identifier.uri https://hdl.handle.net/20.500.11815/352
dc.description.abstract We report the synthesis of a bis(urea) gelator designed to specifically mimic the chemical structure of the highly polymorphic drug substance ROY. Crystallization of ROY from toluene gels of this gelator results in the formation of the metastable red form instead of the thermodynamic yellow polymorph. In contrast, all other gels and solution control experiments give the yellow form. Conformational and crystal structure prediction methods have been used to propose the structure of the gel and show that the templation of the red form by the targeted gel results from conformational matching of the gelator to the ROY substrate coupled with overgrowth of ROY onto the local periodic structure of the gel fibres.
dc.description.sponsorship Engineering and Physical Sciences Research Council EP/J013021/1
dc.format.extent 78-84
dc.language.iso en
dc.publisher Royal Society of Chemistry (RSC)
dc.relation.ispartofseries Chemical Science;8(1)
dc.rights info:eu-repo/semantics/openAccess
dc.title Pharmaceutical polymorph control in a drug-mimetic supramolecular gel
dc.type info:eu-repo/semantics/article
dcterms.license Open Access Article. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
dc.description.version Peer Reviewed
dc.identifier.journal Chemical Science
dc.identifier.doi 10.1039/c6sc04126d
dc.relation.url http://pubs.rsc.org/en/content/articlepdf/2017/SC/C6SC04126D
dc.contributor.department Raunvísindastofnun (HÍ)
dc.contributor.department Science Institute (UI)
dc.contributor.school Verkfræði- og náttúruvísindasvið (HÍ)
dc.contributor.school School of Engineering and Natural Sciences (UI)

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