Unlocking Drug Potential: How Crystal Structure Shapes Stability and Solubility

What is it about?

Cannabigerol (CBG) is a natural compound from cannabis with promising health benefits. However, its solid form is unstable, poorly soluble in water, and difficult to use in medicines. To solve these problems, we created new crystal forms called cocrystals, which combine CBG with other molecules to improve its properties. We discovered two new cocrystals, one with piperazine and another with tetramethylpyrazine. These new forms changed CBG’s melting point, crystal shape, and most importantly, improved how well it dissolves in water—an essential factor for effective drug absorption. By studying the crystal structures in detail, we found that certain surface properties, like electrostatic charge distribution and how the crystal interacts with water, strongly predict how well the drug will dissolve. This research provides a new way to design better pharmaceutical compounds by understanding and modifying their crystal structures.

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Photo by Emily Bernal on Unsplash

Photo by Emily Bernal on Unsplash

Why is it important?

Our study provides a novel approach to predicting and improving drug properties by analyzing crystal structures at the molecular level. Unlike traditional methods that focus only on chemical composition, we demonstrate how specific surface interactions—such as electrostatic charge distribution and water affinity—strongly influence drug solubility. This is particularly timely as the pharmaceutical industry seeks more efficient ways to enhance poorly soluble drug compounds. By identifying key structural factors that control dissolution rates, our work offers a powerful tool for designing better drug formulations, potentially improving the effectiveness of cannabinoid-based medicines and beyond.