4.7 Article

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

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CRYSTAL GROWTH & DESIGN
卷 18, 期 12, 页码 7618-7627

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AMER CHEMICAL SOC
DOI: 10.1021/acs.cgd.8b01413

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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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