Combined Virtual/Experimental Multicomponent Solid Forms Screening of Sildenafil: New Salts, Cocrystals, and Hybrid Salt−Cocrystals

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dc.contributor.authorBarbas Cañero, Rafael
dc.contributor.authorFont Bardia, Ma. Mercedes
dc.contributor.authorParadkar, A.
dc.contributor.authorHunter, C. A.
dc.contributor.authorProhens López, Rafael
dc.date.accessioned2020-05-28T16:37:49Z
dc.date.available2020-05-28T16:37:49Z
dc.date.issued2018-10-30
dc.date.updated2020-05-28T16:37:49Z
dc.description.abstractNew 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.
dc.format.extent39 p.
dc.format.mimetypeapplication/pdf
dc.identifier.idgrec693054
dc.identifier.issn1528-7483
dc.identifier.urihttps://hdl.handle.net/2445/162874
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.relation.isformatofVersió postprint del document publicat a: https://doi.org/10.1021/acs.cgd.8b01413
dc.relation.ispartofCrystal Growth & Design, 2018, vol. 18, num. 12, p. 7618-7627
dc.relation.urihttps://doi.org/10.1021/acs.cgd.8b01413
dc.rights(c) American Chemical Society , 2018
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.sourceArticles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)
dc.subject.classificationÀcids orgànics
dc.subject.classificationSals
dc.subject.classificationEstructura cristal·lina (Sòlids)
dc.subject.otherOrganic acids
dc.subject.otherSalts
dc.subject.otherLayer structure (Solids)
dc.titleCombined Virtual/Experimental Multicomponent Solid Forms Screening of Sildenafil: New Salts, Cocrystals, and Hybrid Salt−Cocrystals
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/acceptedVersion

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