Evaluation of UNIFAC Model in Predicting of Naproxen Solubility in Some Aqueous Solutions of Choline Chloride Based Deep Eutectic Solvent

Prediction of drugs solubility in various solvents is one of the main challenges in drug discovery and advanced investigation. The thermodynamic models are fast, reliable, and cost-effective methods to select the best solvent or solvent mixtures to increase drug solubility. Experimental solubility determination is not always possible because of the small amount of product available in the early stages of a drug development. In addition, deep eutectic solvents are neoteric green solvents. They have advantages such as a lower cost and desirable environmental impact, they are liquid at room temperatures typically formed by mixing two solid compounds, such as a quaternary ammonium salt as hydrogen bond acceptor (HBA) (e.g. choline chloride) and a hydrogen bond donor (HBD) (e.g. urea or a carboxylic acid) at their eutectic composition with melting point much lower than that of the individual components[1, 2]. In this paper, UNIFAC activity coefficient model[3] is tested for prediction of naproxen (NAP) solubility in choline chloride based deep eutectic solvents and the performance of this model is compared with experimental data.