控制theess形成的因素:丙酸非甾体抗炎药和利多卡因的案例研究

Magdy M. Abdelquader, G. P. Andrews, Shu Li, David S. Jones
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引用次数: 0

摘要

深共晶溶剂(DES)是固体母体化合物之间相互作用的产物,在室温下由于熔点明显降低而形成液体。这种现象已被用于改善药物的生物制药行为,通过包括至少一种API作为DES前体来产生治疗性DES (THEDES)。DES的理化性质受母体化合物的理化性质影响。研究这种关系有助于为特定结果定制THEDES格式。通过热分析、FTIR和流变学研究,比较利多卡因与结构相似的布洛芬或酮洛芬的THEDES,以突出不同的物理化学性质对形成的THEDES的影响。两种产物的共晶组成相似,表明超分子互补性在共晶点测定中的重要作用。药物的玻璃化转变(Tg)似乎对形成的THEDES的Tg有直接影响,其中高Tg的酮洛芬产生较高的Tg THEDES。同样,酮洛芬结构中氢键位点数量越多,产物粘度越高,热稳定性越好。相互作用网络中的电荷参与程度与药物的pKa有关。这些发现有助于构建一种基于结构的方法来选择thedes组件。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Factors governing the formation of THEDESs: A case study with propionic acid NSAIDs and lidocaine
Deep eutectic solvents (DES) are products of interaction betweensolid parent compounds resulting in a liquid at room temperature due to significantmelting point depression. Such phenomenon has been employed to improve drugs’ biopharmaceuticalbehavior by including at least one API as DES former to produce a therapeuticDES (THEDES). DES physicochemical characteristics are affected by those of the parentcompounds. Investigating such relation can help in tailoring THEDES formationfor specific outcomes. This was done by comparing THEDES of lidocaine witheither of structurally similar ibuprofen or ketoprofen through thermalanalysis, FTIR and rheological studies to highlight the effect of differentphysicochemical properties on the formed THEDES. Eutectic composition for bothproducts was similar, indicating the important role of supramolecularcomplementarity in eutectic point determination. Glass transition (Tg)of drugs seemed to have direct impact on Tg of the formed THEDESwhere higher Tg ketoprofen produced a higher Tg THEDES. Similarly,higher number of hydrogen bonding sites within ketoprofen structure led to moreviscous and thermally stable product. Moreover, the degree of chargeinvolvement in the interaction network was related to pKa of thedrugs. Such findings can help to construct a structural based approach to selectTHEDES components. 
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