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

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    Paradkar_Crystal_Growth_&_Design.pdf (1.323Mb)
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    Publication date
    2018-12
    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. 18(12): 7618-7627.
    Link to publisher’s version
    https://pubs.acs.org/doi/10.1021/acs.cgd.8b01413
    Type
    Article
    Collections
    Life Sciences Publications

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