Combined virtual/experimental multicomponent solid forms screening of sildenafil: new salts, cocrystals, and hybrid salt-cocrystals
| dc.contributor.author | Barbas, R. | * |
| dc.contributor.author | Font-Bardia, M. | * |
| dc.contributor.author | Paradkar, Anant R. | * |
| dc.contributor.author | Hunter, C.A. | * |
| dc.contributor.author | Prohens, R. | * |
| dc.date.accessioned | 2018-11-22T10:55:04Z | |
| dc.date.available | 2018-11-22T10:55:04Z | |
| dc.date.issued | 2018-12 | |
| dc.identifier.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. | en_US |
| dc.identifier.uri | http://hdl.handle.net/10454/16663 | |
| dc.description | Yes | en_US |
| dc.description.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. | en_US |
| dc.language.iso | en | en_US |
| dc.relation.isreferencedby | https://pubs.acs.org/doi/10.1021/acs.cgd.8b01413 | en_US |
| dc.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 | en_US |
| dc.subject | Multicomponent solid forms | en_US |
| dc.subject | Sildenafil | en_US |
| dc.subject | Cocrystals | en_US |
| dc.subject | Salts | en_US |
| dc.subject | Hybrid salt-cocrystals | en_US |
| dc.subject | Silico screening method | en_US |
| dc.title | Combined virtual/experimental multicomponent solid forms screening of sildenafil: new salts, cocrystals, and hybrid salt-cocrystals | en_US |
| dc.status.refereed | Yes | en_US |
| dc.date.Accepted | 2018-10 | |
| dc.date.application | 2018-10-30 | |
| dc.type | Article | en_US |
| dc.type.version | Accepted Manuscript | en_US |
| refterms.dateFOA | 2018-11-22T10:55:04Z |
