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Pharmaceutical polymorph control in a drug-mimetic supramolecular gel.

Foster, Jonathan A. and Damodaran, Krishna K. and Maurin, Antoine and Day, Graeme M. and Thompson, Hugh P. G. and Cameron, Gary J. and Bernal, Jenifer Cuesta and Steed, Jonathan W. (2017) 'Pharmaceutical polymorph control in a drug-mimetic supramolecular gel.', Chemical science., 8 (1). pp. 78-84.

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 experimetns give the yellow form. Conformational and crystal structure prediction methods have been used to propose the structure of the gel and shows that the templation of the red form by the targetted gel results from conformational matching of the gelator to the ROY substrate coupled with overgorwth of ROY onto the the local periodic structure of the gel fibres.

Item Type:Article
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Status:Peer-reviewed
Publisher Web site:https://doi.org/10.1039/C6SC04126D
Publisher statement:This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Date accepted:06 October 2016
Date deposited:10 October 2016
Date of first online publication:07 October 2016
Date first made open access:07 December 2016

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