Foster, J.A. orcid.org/0000-0002-0588-2474, Damodaran, K.K., Maurin, A. et al. (5 more authors) (2016) Pharmaceutical polymorph control in a drug-mimetic supramolecular gel. Chemical Science. ISSN 2041-6520
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.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © Year The Author(s). This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield) |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 11 Nov 2016 12:52 |
Last Modified: | 06 Nov 2018 13:04 |
Published Version: | https://doi.org/10.1039/C6SC04126D |
Status: | Published |
Publisher: | Royal Society of Chemistry |
Refereed: | Yes |
Identification Number: | 10.1039/C6SC04126D |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:107234 |