@misc{10481/81768, year = {2023}, month = {2}, url = {https://hdl.handle.net/10481/81768}, abstract = {Pharmaceutical multicomponent solids have proved to efficiently modulate the physico- chemical properties of active pharmaceutical ingredients. In this context, polyphenols are interesting coformers for designing pharmaceutical cocrystals due to their wide safety profile and interesting antioxidant properties. The novel 6-propyl-2-thiouracil multicomponent solids have been obtained by mechanochemical synthesis and fully characterized by powder and single-crystal X-ray diffraction methods. The analysis of supramolecular synthons has been further performed with computational methods, with both results revealing a robust supramolecular organization influenced by the different positions of the hydroxyl groups within the polyphenolic coformers. All novel 6-propyl-2-thiouracil cocrystals show an enhanced solubility profile, but unfortunately, their thermodynamic stability in aqueous media is limited to 24 h.}, organization = {FEDER-Universidad de Granada, Spain B-FQM-478-UGR20}, organization = {Spanish Government PID2020-115637GB-I00}, publisher = {MDPI}, keywords = {Propylthiouracil}, keywords = {Polyphenols}, keywords = {Cocrystals}, keywords = {Mechanochemistry}, keywords = {Crystal engineering}, title = {Rational Coformer Selection in the Development of 6-Propyl-2-thiouracil Pharmaceutical Cocrystals}, doi = {10.3390/ph16030370}, author = {Acebedo Martínez, Francisco Javier and Verdugo Escamilla, Cristóbal and Domínguez Martín, Alicia and Gómez Morales, Jaime and Choquesillo Lazarte, Duane}, }