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The effect of erythrosine-B on the structuration of poloxamer 407 and cellulose derivative blends: In silico modelling supporting experimental studies
Biomaterials Advances ( IF 7.9 ) Pub Date : 2021-09-17 , DOI: 10.1016/j.msec.2021.112440
Jéssica Bassi da Silva 1 , Katieli da Silva Souza Campanholi 2 , Gustavo Braga 2 , Paulo Ricardo de Souza 2 , Wilker Caetano 2 , Michael Thomas Cook 3 , Marcos Luciano Bruschi 1
Affiliation  

Erythrosine is a dye approved for medical use that has shown promising photodynamic activity, allowing for the inactivation of microorganisms and activity against malignant cells. Despite the great photodynamic potential, erythrosine exhibits hydrophilicity, negatively impacting its action in biological membranes. Therefore, the incorporation of erythrosine in micellar polymeric systems, such as poloxamers, may overcome this limitation. Moreover, using bioadhesive and thermoresponsive polymers to combine in situ gelation and bioadhesion may enhance retention of this topically applied drug. In this work, mucoadhesive and thermoresponsive micellar systems were prepared containing erythrosine in two states: the native form (ERI) and the disodium salt (ERIs). The systems were evaluated based on the effect of ERI/ERIs on the micellar structure of the binary polymer mixtures. Optimised combinations of poloxamer 407 (polox407) and mucoadhesive sodium carboxymethylcellulose (NaCMC) or hydroxypropyl methylcellulose (HPMC) were used as micellar systems for ERI or ERIs delivery. The systems were studied with respect to theoretical interactions, qualitative composition, morphology, and micellar properties. In silico modelling indicated a higher interaction of the drug with poly(ethylene oxide) (PEO) than poly(propylene oxide) (PPO) fragments of polox407. Systems containing NaCMC displayed a repulsive effect in the presence of erythrosine, due to the polymer's charge density. Both systems could convert the photosensitizer in its monomeric form, ensuring photodynamic activity. In these mixtures, crystallinity, critical micellar temperature and enthalpy of polox407 micellisation were reduced, and micellar size, evaluated by transmission electron microscopy (TEM), showed low impact of ERI/ERIs in HPMC preparations. Aiming toward photodynamic applications, the findings showed how ERI or ERIs can affect the micellar formation of gels composed of 17.5% (w/w) polox407 and 3% (w/w) HPMC or 1% (w/w) NaCMC, important for understating their behaviour and future utilisation as erythrosine delivery systems.



中文翻译:

赤藓红-B 对泊洛沙姆 407 和纤维素衍生物混合物结构化的影响:支持实验研究的计算机模拟

赤藓红是一种批准用于医疗用途的染料,已显示出有希望的光动力活性,可以灭活微生物并具有对抗恶性细胞的活性。尽管具有巨大的光动力潜力,赤藓红表现出亲水性,对其在生物膜中的作用产生负面影响。因此,在胶束聚合物体系中加入赤藓红,如泊洛沙姆,可以克服这一限制。此外,使用生物粘附和热响应聚合物原位结合凝胶化和生物粘附可能会增强这种局部应用药物的保留。在这项工作中,制备了含有两种状态的赤藓红的粘膜粘附和热响应胶束系统:天然形式 (ERI) 和二钠盐 (ERI)。基于 ERI/ERI 对二元聚合物混合物胶束结构的影响对系统进行了评估。泊洛沙姆 407 (polox407) 和粘膜粘附羧甲基纤维素钠 (NaCMC) 或羟丙基甲基纤维素 (HPMC) 的优化组合用作 ERI 或 ERI 递送的胶束系统。研究了系统的理论相互作用、定性组成、形态和胶束特性。电脑模拟建模表明,与 polox407 的聚(环氧丙烷)(PPO)片段相比,药物与聚(环氧乙烷)(PEO)的相互作用更高。由于聚合物的电荷密度,含有 NaCMC 的系统在赤藓红的存在下显示出排斥作用。两种系统都可以将光敏剂转化为单体形式,确保光动力活性。在这些混合物中,polox407 胶束化的结晶度、临界胶束温度和焓降低,并且通过透射电子显微镜 (TEM) 评估的胶束尺寸表明,ERI/ERI 对 HPMC 制剂的影响很小。针对光动力学应用,研究结果表明 ERI 或 ERI 如何影响由 17.5% (w/w) polox407 和 3% (w/w) HP​​MC 或 1% (w/w) NaCMC 组成的凝胶的胶束形成,

更新日期:2021-09-29
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