共晶
盐(化学)
化学
虚拟筛选
组合化学
西地那非
氢键
有机化学
分子
药物发现
生物化学
医学
内科学
作者
Rafael Barbas,Mercè Font-Bardı́a,Anant Paradkar,Christopher A. Hunter,Rafel Prohens
标识
DOI:10.1021/acs.cgd.8b01413
摘要
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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