Chrysin Cocrystals: Prediction, Preparation, Characterization, and In Vitro/In Vivo Evaluation.

Area of Science:

• Materials Science
• Pharmaceutical Chemistry
• Crystal Engineering

Background:

• Chrysin (CHR) is a natural flavonoid with potential therapeutic properties but suffers from poor solubility and druggability.
• Enhancing the physicochemical properties of CHR is crucial for its effective pharmaceutical application.

Purpose of the Study:

• To improve the solubility and druggability of Chrysin (CHR) through crystal engineering.
• To investigate the formation and characterization of Chrysin cocrystals with nitrogen heterocyclic compounds.

Main Methods:

• Computational screening was used to identify potential cocrystal formers.
• Cocrystal formation was attempted with piperazine (PIP), 4,4'-bipyridine (BIP), imidazole (IMI), and sophoridine (SOP).
• Characterization involved single-crystal X-ray diffraction (SXRD), powder X-ray diffraction (PXRD), thermal analysis, solubility, and dissolution rate studies.

Main Results:

• Four Chrysin cocrystals were successfully prepared, with three being novel.
• Structural analysis revealed the spatial arrangement and intermolecular interactions within the cocrystals.
• The CHR-SOP cocrystal exhibited a significant increase in apparent solubility and dissolution rate compared to pure CHR.

Conclusions:

• Crystal engineering is an effective strategy to enhance the solubility and druggability of Chrysin.
• The CHR-SOP cocrystal shows substantial improvements, positioning it as a promising candidate for drug development.
• Further investigation into the CHR-SOP cocrystal is warranted for its therapeutic potential.