可持续给药创新：在二myristoyl磷脂酰胆碱（DMPC）系统中使用深度共熔溶剂增强阿魏酸释放

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Liquids Pub Date : 2025-04-16 DOI:10.1016/j.molliq.2025.127572

Souhib Bennaadja , El Khamsa Soltani , Djamel Ghernaout , Malik Albrahim , Yacine Benguerba

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引用次数: 0

摘要

本研究引入了一种创新的策略来优化深度共晶溶剂（DES），以实现阿魏酸（FA）在二myristoylphosphatidylcholine （DMPC）脂质体中的控制释放，利用先进的计算技术。我们合成并表征了各种DES配方，使用cosmos - rs（现实溶剂化导体样筛选模型）和cosmos方法评估了它们的溶解度、稳定性和与FA的相互作用能。定量结果表明，与乙醇等传统溶剂相比，特定的DESs显著提高了FA的溶解度。例如，加入甜菜碱和乙酸的DES07，其溶解性增强，液相平衡重量溶解度（WSLE）为0.28067,log10（xSLE）为- 0.58076，超过了乙醇的WSLE为0.01282和log10（xSLE）为- 2.51276。此外，我们研究了FA在脂质体环境中的扩散和释放动力学，为设计更有效和可持续的给药系统提供了重要的见解。这些发现突出了DES作为一种环境友好型替代品在制药应用中的潜力，特别是在提高阿魏酸等疏水药物的生物利用度和控制释放方面。使用DES07和DES08的溶解度比乙醇高20倍以上，同时提高了脂质体的稳定性，如有利的自由能分布和扩散系数所示。

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Sustainable drug delivery innovations: Enhancing Ferulic Acid release using Deep Eutectic Solvents in dimyristoyl phosphatidylcholine (DMPC) systems

This study introduces an innovative strategy for optimizing Deep Eutectic Solvents (DES) to achieve controlled release of Ferulic Acid (FA) within Dimyristoylphosphatidylcholine (DMPC) liposomes, leveraging advanced computational techniques. We synthesized and characterized various DES formulations, assessing their solubility, stability, and interaction energies with FA using the COSMO-RS (COnductor-like Screening MOdel for Realistic Solvation) and COSMOmic methodologies. Quantitative results indicate that specific DESs significantly enhance FA solubility compared to conventional solvents like ethanol. For instance, DES07, incorporating betaine and acetic acid, achieved a solubility enhancement with a Weight Solubility in Liquid Equilibrium (WSLE) of 0.28067 and log₁₀(xSLE) of −0.58076, surpassing ethanol’s WSLE of 0.01282 and log₁₀(xSLE) of −2.51276. Furthermore, we investigated FA diffusion and release kinetics within the liposomal environment, providing crucial insights for designing more efficient and sustainable drug delivery systems. These findings highlight the potential of DES as an environmentally friendly alternative in pharmaceutical applications, particularly for improving the bioavailability and controlled release of hydrophobic drugs like Ferulic Acid. Using DES07 and DES08 resulted in solubility levels over 20 times higher than ethanol while enhancing liposomal stability, as demonstrated by favorable free energy profiles and diffusion coefficients.

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来源期刊

Journal of Molecular Liquids 化学-物理：原子、分子和化学物理

CiteScore

10.30

自引率

16.70%

发文量

2597

审稿时长

78 days

期刊介绍： The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.