Thermodynamic approach to improving solubility prediction of co-crystals in comparison with individual poorly soluble components

• Thermodynamic approach for solubility improvement of co-crystal was developed.
• The graphical technique for estimation of co-crystal solubility was elaborated.
• Hydration enthalpies of some drugs and amino acids were calculated.
• Applicability/operability of the approach was exemplified by some drugs and amino acids.

A novel thermodynamic approach to compare poorly soluble components (active pharmaceutical ingredient (API)) both in co-crystals and individual compounds was developed. An algorithm of choosing potential co-crystals with improved solubility characteristics on the basis of the known solvation/hydration API and co-former enthalpies is described. The applicability and operability of the algorithm were tested exemplified by some drugs and amino acids.

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