Shakeel Faiyaz, Al-Shdefat Ramadan, Ali Mohammad, Ahmad Usama
Department of Pharmaceutics, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh, 11451, Saudi Arabia.
Department of Pharmaceutical Sciences, Faculty of Pharmacy, Jadara University, P.O. Box 733, Irbid, 21110, Jordan.
BMC Chem. 2025 Mar 26;19(1):79. doi: 10.1186/s13065-025-01461-x.
The solubility and thermodynamic characteristics of ribociclib (RCB), a new anticancer medication, have been assessed in a range of {polyethylene glycol 400 (PEG 400) + water} combinations at 293.2-313.2 K and atmospheric pressure. RCB solubility was determined utilizing the saturation shake flask approach, and "van't Hoff, Apelblat, Buchowski-Ksiazczak λh, Yalkowsky-Roseman, Jouyban-Acree, and Jouyban-Acree-van't Hoff models" were utilized to validate the measured experimental data. The uncertainties for the computational predictions were less than 3.0% throughout the validation, indicating an outstanding relationship with the experimental RCB solubility data. PEG 400 mass fraction and temperature both improved the solubility of RCB in mole fraction in the compositions of {PEG 400 + water}. It was discovered that the RCB solubility in mole fraction was greatest in pure PEG 400 (1.04 × 10) at 313.2 K and lowest in neat water (1.07 × 10 at 293.2 K). All of the {PEG 400 + water} mixes under study showed "endothermic and entropy-driven" RCB dissolution, as indicated by the positive values of the estimated thermodynamic parameters. Compared to RCB-water, RCB-PEG 400 exhibited the strongest molecular interactions. PEG 400 offers a great potential for RCB solubilization in water, according to the evaluation's findings.
新型抗癌药物瑞博西尼(RCB)在293.2 - 313.2 K及大气压下于一系列{聚乙二醇400(PEG 400)+水}组合中的溶解度及热力学特性已得到评估。采用饱和摇瓶法测定RCB溶解度,并利用“范特霍夫、阿佩尔布拉特、布霍夫斯基 - 西亚扎克λh、亚尔科夫斯基 - 罗斯曼、乔伊班 - 阿克里以及乔伊班 - 阿克里 - 范特霍夫模型”对实测实验数据进行验证。在整个验证过程中,计算预测的不确定性小于3.0%,表明与实验所得的RCB溶解度数据具有出色的相关性。在{PEG 400 +水}组合物中,PEG 400质量分数和温度均提高了RCB在摩尔分数方面的溶解度。研究发现,RCB在摩尔分数方面的溶解度在313.2 K时于纯PEG 400中最大(1.04×10),而在纯水(293.2 K时为1.07×10)中最低。所研究的所有{PEG 400 +水}混合物均显示出RCB溶解为“吸热且由熵驱动”,这由估算的热力学参数正值所表明。与RCB - 水相比,RCB - PEG 400表现出最强的分子间相互作用。根据评估结果,PEG 400在RCB于水中的增溶方面具有巨大潜力。