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Combined virtual/experimental multicomponent solid forms screening of sildenafil: new salts, cocrystals, and hybrid salt-cocrystals
Barbas, R. Font-Bardia, M. Hunter, C.A. Prohens, R.
Barbas, R.
Font-Bardia, M.
Hunter, C.A.
Prohens, R.
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Publication Date
2018-12
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© 2018 ACS. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth and Design, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.cgd.8b01413
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openAccess
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2018-10
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Abstract
New multicomponent solid forms of sildenafil have been discovered
by means of a combined virtual/experimental cocrystal screening. Coformer
selection of candidates was conducted based on an in silico screening method from
a database of more than 2000 organic compounds, and the intensive experimental
screen produced 23 new solid forms. Since the 12 coformers chosen have a
combination of phenol and carboxylic acid groups, a variety of cocrystals, salts, and
hybrid salt-cocrystals were discovered and characterized.
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Accepted manuscript
Citation
Barbas R, Font-Bardia M, Paradkar A et al (2018) Combined virtual/experimental multicomponent solid forms screening of sildenafil: new salts, cocrystals, and hybrid salt-cocrystals. Crystal Growth and Design. 18(12): 7618-7627.
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Article