Mathematical modeling for azole drugs solubility in the binary solvent systems at various temperatures

Azoles-based drugs in two distinct classes including imidazoles (include clotrimazole,econazole, ketoconazole, miconazole, and tioconazole) and triazoles (fluconazole, itraconazole,Posaconazole, and voriconazole) can be used to inhibit the growth of wide range fungal infectionsincluding athlete's foot, onychomycosis, ringworm, and vaginal candidiasis. Due to their hydrophobicstructure, many azole drugs have low aqueous solubility. Various cosolvency systems have beeninvestigated to improve the aqueous and non-aqueous solubility of these drugs. Using mathematicalmodels as an alternative approach to estimating drug solubility is an easy and fast method. In this study,to predict the solubility of some azole-based drugs in binary systems of solvents at various temperatures,several mathematical models were developed based on the Jouyban-Acree model. To obtain moreaccurate mathematical models, the Jouyban-Acree model is combined with the physicochemicalparameters of the Abraham solvation parameters and the Hansen solubility parameters. In order toassess the applicability of the proposed methods, we calculated the average mean relative deviation(MRDs %) values for the solubility data of azole-based drugs in some cosolvency systems. The resultof the present study has shown that the combination models based on Abraham solvation parametershave reduced the MRDs % by about ۳ times compared to Hansen solubility parameters. This studyprovides essential information in the pharmaceutical industry that can be invaluable in selecting theappropriate solvents for extracting and purifying these drugs.

کلیدواژه ها:

Solubility ، Azole drug ، Abraham solvation parameters ، Hansen solubility parameters ، Mathematical model