Abstract
The structure and properties of praziquantel (PZQ), the only drug to treat schistosomiasis at present, were investigated in both solid and solution phases. The intermolecular interactions examined by Hirshfeld surface analysis demonstrate that the CH⋯O and CH⋯π interactions are dominant in the solid-state structure of PZQ. The equilibrium solubility of PZQ was determined in twelve mono solvents (methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, acetone, methyl isobutyl ketone, methyl acetate, ethyl acetate, isopropyl acetate, acetonitrile) using gravimetric method at temperatures ranging from 288.15 K to 323.15 K. The results show that solubility increases with temperature in all solvents. The effect of solvent properties on PZQ solubility was discussed, and statistical correlations were performed to evaluate the impact of contributions of various solvent properties on the solubility. It was found that the solubility of PZQ is not simply dependent on any individual solvent parameters but the combined impact of hydrogen bond donor propensities, solvent polarity and cohesive energy density. Further, the modified Apelblat equation, λh equation, Van't Hoff equation, and NRTL model were employed to correlate the solubility data, in which the modified Apelblat equation receives the best fitting performance.
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