Enhancing the Screening Efficiency of Chiral Cocrystals for the Separation of Praziquantel through the Use of Coformer Derivatives

Crystal Growth & Design, Год журнала: 2025, Номер unknown

Опубликована: Янв. 8, 2025

Cocrystallization has become an increasingly attractive method for the separation of chiral active pharmaceutical ingredients (API). However, screening process coformers (CFs) that are capable cocrystallizing with API and further producing cocrystals suitable enantiomeric resolution is often time-consuming may not always give desired results. One promising approaches involves prediction CF structures based on modification structure a known successful particular target molecule. This can lead to formation new different space groups be more resolution. In this study, we propose four similar malic acid, which been shown form diastereomeric praziquantel (PZQ), including tartaric methylsuccinic 2,3-dimethylsuccinic 2,2-dimethylsuccinic acid. Our findings demonstrated these CFs generate cocrystal PZQ some crystallized in Sohncke group, allows only enantiomerically pure crystal structure. Notably, meso-2,3-dimethylsuccinic acid shows potential forming rare conglomerate cocrystal. Furthermore, energetic was revealed by DFT calculation.

Язык: Английский

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A Comprehensive Review on Theoretical Screening Methods for Pharmaceutical Cocrystals

Journal of Molecular Structure, Год журнала: 2024, Номер 1321, С. 139868 - 139868

Опубликована: Сен. 1, 2024

Язык: Английский

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Hesperetin–4,4′-bipyridine cocrystal: Polymorphism, crystal structures, and thermodynamic relationship

Journal of Molecular Structure, Год журнала: 2024, Номер 1320, С. 139719 - 139719

Опубликована: Авг. 20, 2024

Язык: Английский

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Polymorphism in 5-methylsalicylic acid: Insights into relative thermal behavior, luminescent properties, crystal structure, and Hirshfeld surface analysis

Journal of Molecular Structure, Год журнала: 2024, Номер 1319, С. 139397 - 139397

Опубликована: Июль 23, 2024

Язык: Английский

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