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解析环糊精聚合物涂层乳房植入物的药物递送:将单向扩散数学模型与COMSOL模拟相结合

Unraveling Drug Delivery from Cyclodextrin Polymer-Coated Breast Implants: Integrating a Unidirectional Diffusion Mathematical Model with COMSOL Simulations.

作者信息

Hernandez-Montelongo Jacobo, Salazar-Araya Javiera, Mas-Hernández Elizabeth, Oliveira Douglas Soares, Garcia-Sandoval Juan Paulo

机构信息

Department of Physical and Mathematical Sciences, Catholic University of Temuco, Temuco 4813302, Chile.

Department of Translational Bioengineering, University of Guadalajara, Guadalajara 44430, Mexico.

出版信息

Pharmaceutics. 2024 Apr 2;16(4):486. doi: 10.3390/pharmaceutics16040486.

DOI:10.3390/pharmaceutics16040486
PMID:38675147
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11055099/
Abstract

Breast cancer ranks among the most commonly diagnosed cancers worldwide and bears the highest mortality rate. As an integral component of cancer treatment, mastectomy entails the complete removal of the affected breast. Typically, breast reconstruction, involving the use of silicone implants (augmentation mammaplasty), is employed to address the aftermath of mastectomy. To mitigate postoperative risks associated with mammaplasty, such as capsular contracture or bacterial infections, the functionalization of breast implants with coatings of cyclodextrin polymers as drug delivery systems represents an excellent alternative. In this context, our work focuses on the application of a mathematical model for simulating drug release from breast implants coated with cyclodextrin polymers. The proposed model considers a unidirectional diffusion process following Fick's second law, which was solved using the orthogonal collocation method, a numerical technique employed to approximate solutions for ordinary and partial differential equations. We conducted simulations to obtain release profiles for three therapeutic molecules: pirfenidone, used for preventing capsular contracture; rose Bengal, an anticancer agent; and the antimicrobial peptide KR-12. Furthermore, we calculated the diffusion profiles of these drugs through the cyclodextrin polymers, determining parameters related to diffusivity, solute solid-liquid partition coefficients, and the Sherwood number. Finally, integrating these parameters in COMSOL multiphysics simulations, the unidirectional diffusion mathematical model was validated.

摘要

乳腺癌是全球最常见的诊断癌症之一,死亡率最高。作为癌症治疗的一个组成部分,乳房切除术需要完全切除受影响的乳房。通常,乳房重建,包括使用硅胶植入物(隆乳术),用于解决乳房切除术后的问题。为了降低与乳房整形术相关的术后风险,如包膜挛缩或细菌感染,用环糊精聚合物涂层作为药物递送系统对乳房植入物进行功能化是一个很好的选择。在这种情况下,我们的工作重点是应用数学模型来模拟药物从涂有环糊精聚合物的乳房植入物中的释放。所提出的模型考虑了遵循菲克第二定律的单向扩散过程,该过程使用正交配置法求解,这是一种用于近似求解常微分方程和偏微分方程的数值技术。我们进行了模拟,以获得三种治疗分子的释放曲线:用于预防包膜挛缩的吡非尼酮;抗癌剂孟加拉玫瑰红;以及抗菌肽KR-12。此外,我们计算了这些药物通过环糊精聚合物的扩散曲线,确定了与扩散率、溶质固液分配系数和舍伍德数相关的参数。最后,将这些参数整合到COMSOL多物理场模拟中,对单向扩散数学模型进行了验证。

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Unraveling Drug Delivery from Cyclodextrin Polymer-Coated Breast Implants: Integrating a Unidirectional Diffusion Mathematical Model with COMSOL Simulations.解析环糊精聚合物涂层乳房植入物的药物递送:将单向扩散数学模型与COMSOL模拟相结合
Pharmaceutics. 2024 Apr 2;16(4):486. doi: 10.3390/pharmaceutics16040486.
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本文引用的文献

1
Functionalization of breast implants by cyclodextrin polymerization: a local drug delivery system for augmentation mammaplasty.通过环糊精聚合实现乳房植入物的功能化:一种用于隆乳术的局部药物递送系统。
Front Bioeng Biotechnol. 2023 Sep 19;11:1254299. doi: 10.3389/fbioe.2023.1254299. eCollection 2023.
2
Chitosan-Based Nanoparticles as Effective Drug Delivery Systems-A review.壳聚糖纳米粒子作为有效的药物传递系统-综述。
Molecules. 2023 Feb 18;28(4):1963. doi: 10.3390/molecules28041963.
3
Coatings of Cyclodextrin/Citric-Acid Biopolymer as Drug Delivery Systems: A Review.
环糊精/柠檬酸生物聚合物涂层作为药物递送系统的综述
Pharmaceutics. 2023 Jan 16;15(1):296. doi: 10.3390/pharmaceutics15010296.
4
Importance of Rose Bengal Loaded with Nanoparticles for Anti-Cancer Photodynamic Therapy.负载纳米颗粒的孟加拉玫瑰红在抗癌光动力疗法中的重要性。
Pharmaceuticals (Basel). 2022 Aug 31;15(9):1093. doi: 10.3390/ph15091093.
5
Pharmacological Approaches for the Prevention of Breast Implant Capsular Contracture.预防乳房假体包膜挛缩的药理学方法。
J Surg Res. 2022 Dec;280:129-150. doi: 10.1016/j.jss.2022.06.073. Epub 2022 Aug 12.
6
Risk Factors for Postoperative Complications Following Aesthetic Breast Surgery: A Retrospective Cohort Study of 4973 Patients in China.美容隆胸术后并发症的危险因素:对中国4973例患者的回顾性队列研究
Aesthetic Plast Surg. 2022 Dec;46(6):2629-2639. doi: 10.1007/s00266-022-03030-2. Epub 2022 Aug 3.
7
A novel hybrid peptide composed of LfcinB6 and KR-12-a4 with enhanced antimicrobial, anti-inflammatory and anti-biofilm activities.一种新型杂合肽,由 LfcinB6 和 KR-12-a4 组成,具有增强的抗菌、抗炎和抗生物膜活性。
Sci Rep. 2022 Mar 14;12(1):4365. doi: 10.1038/s41598-022-08247-4.
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Pirfenidone as a potential antifibrotic injectable for Dupuytren's disease.吡非尼酮作为一种潜在的抗纤维化注射剂用于治疗杜普伊特伦挛缩症。
Pharm Dev Technol. 2022 Feb;27(2):242-250. doi: 10.1080/10837450.2022.2038201. Epub 2022 Feb 20.
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Compartmental and COMSOL Multiphysics 3D Modeling of Drug Diffusion to the Vitreous Following the Administration of a Sustained-Release Drug Delivery System.缓释药物递送系统给药后药物向玻璃体扩散的隔室及COMSOL多物理场3D建模
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