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Comparing and Quantifying the Efficiency of Cocrystal Screening Methods for Praziquantel
Maxime D Charpentier1, Jan-Joris Devogelaer2, Arnoud Tijink2
1EPSRC Centre for Innovative Manufacturing in Continuous Manufacturing and Crystallization (CMAC), University of Strathclyde, Technology and Innovation Centre, 99 George Street, Glasgow G1 1RD, U.K..
Crystal Growth & Design
|September 13, 2022
Summary
Liquid-assisted grinding is the most effective method for discovering new pharmaceutical cocrystals, offering speed and success. Saturation temperature measurements also yield good results, providing valuable solubility data for future development.
Area of Science:
- Materials Science
- Crystallography
- Pharmaceutical Science
Background:
- Pharmaceutical cocrystals enhance physicochemical properties and aid in chiral molecule separation.
- Discovering novel cocrystals requires robust screening methods, as efficiency varies with coformers and techniques.
Purpose of the Study:
- To compare and quantify the performance of three cocrystal screening methods: liquid-assisted grinding, solvent evaporation, and saturation temperature measurements.
- To evaluate methods based on screenable coformer fraction, success rate, cocrystal yield, new phase identification, and experimental convenience.
Main Methods:
- Screening 30 potential coformers for praziquantel using a network-based link prediction algorithm.
- Applying liquid-assisted grinding, solvent evaporation, and saturation temperature measurements for cocrystal screening.
Main Results:
- Liquid-assisted grinding proved most successful and rapid.
- Saturation temperature measurements were effective, albeit slower, providing crucial solubility data.
- Solvent evaporation showed more disadvantages than advantages.
- Seventeen cocrystals were identified, with 14 stable and 12 structures resolved.
Conclusions:
- Liquid-assisted grinding is the preferred method for efficient cocrystal screening.
- Saturation temperature measurements offer a viable alternative with added solubility insights.
- Method selection impacts the success of cocrystal discovery and development.
