Pharmaceutical polymorph control in a drug-mimetic supramolecular gel.

Autor:	Foster JA; Department of Chemistry , University of Sheffield , Sheffield , S3 7HF , UK., Damodaran KK; Department of Chemistry , Science Institute , University of Iceland , Dunhagi 3 , 107 Reykjavík , Iceland., Maurin A; Department of Chemistry , Durham University , South Road , Durham , DH1 3LE , UK . Email: jon.steed@durham.ac.uk., Day GM; School of Chemistry , University of Southampton , Highfield , Southampton , SO17 1BJ , UK . Email: G.M.Day@soton.ac.uk., Thompson HPG; Department of Chemistry , University of Cambridge , Cambridge , CB2 1EW , UK., Cameron GJ; Department of Chemistry , Durham University , South Road , Durham , DH1 3LE , UK . Email: jon.steed@durham.ac.uk., Bernal JC; Department of Chemistry , Durham University , South Road , Durham , DH1 3LE , UK . Email: jon.steed@durham.ac.uk., Steed JW; Department of Chemistry , Durham University , South Road , Durham , DH1 3LE , UK . Email: jon.steed@durham.ac.uk.
Jazyk:	angličtina
Zdroj:	Chemical science [Chem Sci] 2017 Jan 01; Vol. 8 (1), pp. 78-84. Date of Electronic Publication: 2016 Oct 07.
DOI:	10.1039/c6sc04126d
Abstrakt:	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.
Databáze:	MEDLINE
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