关键词: Choline Chloride Deep Eutectic Solvent Drug Quantitative Structure-property Relationship Solubility

来  源:   DOI:10.5812/ijpr-137011   PDF(Pubmed)

Abstract:
UNASSIGNED: The solubility of drugs in water and organic solvents is a crucial factor in numerous pharmaceutical processes. In recent years, a new type of solvent called deep eutectic solvents (DESs) has been developed as a useful solvent for drugs. Choline chloride-glycerol/urea (ChCl-G/U) systems are DESs recognized as a novel category of environmentally friendly solvents. One recent application of this type of DES in water is the solubilization of drugs.
UNASSIGNED: This study aimed to investigate the solubility of certain drugs in ChCl-G/U. In addition, the solubilization mechanisms of the DESs studied, and quantitative structure-property relationship (QSPR) models for solubilization were proposed.
UNASSIGNED: The solubility of 13 drugs in an aqueous solution of the ChCl-G/U system was investigated using the shake flask method. The study was conducted at 10% and 50% mass fractions of the studied systems. Multiple linear regression models were used to develop mathematical relationships between the solubilization of the studied compounds in the presence of ChCl-G/U + water mixture using QSPR models.
UNASSIGNED: The solubility of the compounds showed a significant increase upon adding ChCl-G/U to the aqueous solutions. Based on the data obtained, QSPR models were developed using solubilization ratio and structural descriptors.
UNASSIGNED: The experimental data demonstrates the potential of utilizing ChCl-G/U as a medium to enhance the solubility of poorly soluble drugs in water. Solubilization of solutes in ChCl-G/U + water mixtures could be correlated with the structural properties of drugs. Moreover, the final pH of the solutions in ChCl-U is a critical factor that must be considered when using this system for solubilization.
摘要:
药物在水和有机溶剂中的溶解度是许多制药过程中的关键因素。近年来,一种称为低共熔溶剂(DESs)的新型溶剂已被开发为药物的有用溶剂。氯化胆碱-甘油/尿素(ChCl-G/U)系统是公认的一类新型环保溶剂的DES。这种类型的DES在水中的一种最新应用是药物的增溶。
本研究旨在研究某些药物在ChCl-G/U中的溶解度。此外,研究的DES的增溶机制,提出了增溶的定量结构-性质关系(QSPR)模型。
使用摇瓶方法研究了13种药物在ChCl-G/U系统的水溶液中的溶解度。在所研究系统的10%和50%质量分数下进行研究。使用QSPR模型,使用多元线性回归模型建立在ChCl-G/U水混合物存在下研究化合物溶解之间的数学关系。
在向水溶液中加入ChCl-G/U时,化合物的溶解度显示出显著增加。根据获得的数据,使用增溶率和结构描述符开发QSPR模型。
实验数据证明了利用ChCl-G/U作为介质增强难溶性药物在水中的溶解度的潜力。ChCl-G/U水混合物中溶质的增溶可能与药物的结构性质相关。此外,在ChCl-U中溶液的最终pH是使用该系统进行溶解时必须考虑的关键因素。
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