Crystal Clear Predictions
A new model for cocrystal formation could be a powerful tool for formulation scientists – no crystal structures required, it’s all about the surface contacts.
Christopher A. Hunter, Rafel Prohens |
Cocrystals – two or more molecular entities combined in a homogenous crystalline structure – have recently become attractive targets for the pharmaceutical industry, as cocrystallization can have a positive effect on the properties of solid dosage forms. However, predicting which potential coformers will successfully cocrystallize with a given active pharmaceutical ingredient (API) has proved difficult. Here, we describe a new computational method that does not require any knowledge or prediction of three-dimensional crystal structures, making it fast enough to virtually screen very large libraries of compounds to successfully identify new API cocrystals.
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