Characterization of folic acid-functionalized PLA-PEG nanomicelle to deliver Letrozole: A nanoinformatics study.

IF 4.7 3区材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC ACS Applied Electronic Materials Pub Date : 2022-06-01 Epub Date: 2021-11-23 DOI:10.1049/nbt2.12073

Neda Rostami, Reza Davarnejad

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Abstract

Effective cancer treatment is currently the number one challenge to human health. To date, several treatment methods have been introduced for cancer cell targeting. Among the proposed new methods for attacking cancer cells, nanotechnology has attracted much attention. Hence, various nanocarriers have been developed for targeted delivery of available drugs and improve their effectiveness against malignant cells. The PLA-PEG functionalised with folic acid (PLA-PEG-FA) is one of the nanocarriers with a limited range of applications for targeting cancer cells. In this investigation, different types of in-silico methods such as molecular docking approach, molecular dynamics simulation and free energy calculations are employed to characterise the carriers studied. The effectiveness of PLA-PEG-FA and PLA-PEG in delivering Letrozole as an aromatase inhibitor in cancer cells is examined. It is found that in the presence of folic acid, the stability and cell membrane permeability of nanomicelle are increased. Therefore, PLA-PEG-FA can be considered as a versatile carrier that can increase the effectiveness of aromatase inhibitors (such as Letrozole) and reduce their side effects.

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叶酸功能化聚乳酸-聚乙二醇（PLA-PEG）纳米胶束递送来曲唑的特性：纳米信息学研究。

有效治疗癌症是目前人类健康面临的头号挑战。迄今为止，已有多种针对癌细胞的治疗方法问世。在提出的攻击癌细胞的新方法中，纳米技术备受关注。因此，人们开发了各种纳米载体，用于靶向递送现有药物，并提高其对恶性细胞的疗效。叶酸功能化聚乳酸-聚乙二醇（PLA-PEG-FA）是其中一种纳米载体，但它在靶向癌细胞方面的应用范围有限。在这项研究中，采用了分子对接法、分子动力学模拟和自由能计算等不同类型的室内方法来表征所研究的载体。研究考察了聚乳酸-聚乙二醇-脂肪酸和聚乳酸-聚乙二醇在癌细胞中递送芳香化酶抑制剂来曲唑的有效性。研究发现，在叶酸存在的情况下，纳米胶束的稳定性和细胞膜渗透性都有所提高。因此，PLA-PEG-FA 可被视为一种多功能载体，可提高芳香化酶抑制剂（如来曲唑）的有效性并减少其副作用。

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来源期刊

ACS Applied Electronic Materials Multiple-

CiteScore

7.20

自引率

4.30%

发文量

567

期刊介绍： ACS Applied Electronic Materials is an interdisciplinary journal publishing original research covering all aspects of electronic materials. The journal is devoted to reports of new and original experimental and theoretical research of an applied nature that integrate knowledge in the areas of materials science, engineering, optics, physics, and chemistry into important applications of electronic materials. Sample research topics that span the journal's scope are inorganic, organic, ionic and polymeric materials with properties that include conducting, semiconducting, superconducting, insulating, dielectric, magnetic, optoelectronic, piezoelectric, ferroelectric and thermoelectric. Indexed/Abstracted： Web of Science SCIE Scopus CAS INSPEC Portico