Combined virtual/experimental multicomponent solid forms screening of sildenafil: new salts, cocrystals, and hybrid salt-cocrystals

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Publication date
2018
End of Embargo
2019-10-31
Author
Barbas, R.
Font-Bardia, M.
Paradkar, Anant R.
Hunter, C.A.
Prohens, R.
Keyword
Multicomponent solid forms
Sildenafil
Cocrystals
Salts
Hybrid salt-cocrystals
Silico screening method
Rights
© 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
Peer-Reviewed
Yes

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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.
URI
http://hdl.handle.net/10454/16663
Version
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. Article in Press.
Link to publisher’s version
https://pubs.acs.org/doi/10.1021/acs.cgd.8b01413
Type
Article
Notes
The full-text of this article will be released for public view at the end of the publisher embargo on 31 Oct 2019.
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