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

IF 3.8 4区工程技术 Q1 BIOCHEMICAL RESEARCH METHODS IET nanobiotechnology 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

IET nanobiotechnology 工程技术-纳米科技

CiteScore

6.20

自引率

4.30%

发文量

审稿时长

1 months

期刊介绍： Electrical and electronic engineers have a long and illustrious history of contributing new theories and technologies to the biomedical sciences. This includes the cable theory for understanding the transmission of electrical signals in nerve axons and muscle fibres; dielectric techniques that advanced the understanding of cell membrane structures and membrane ion channels; electron and atomic force microscopy for investigating cells at the molecular level. Other engineering disciplines, along with contributions from the biological, chemical, materials and physical sciences, continue to provide groundbreaking contributions to this subject at the molecular and submolecular level. Our subject now extends from single molecule measurements using scanning probe techniques, through to interactions between cells and microstructures, micro- and nano-fluidics, and aspects of lab-on-chip technologies. The primary aim of IET Nanobiotechnology is to provide a vital resource for academic and industrial researchers operating in this exciting cross-disciplinary activity. We can only achieve this by publishing cutting edge research papers and expert review articles from the international engineering and scientific community. To attract such contributions we will exercise a commitment to our authors by ensuring that their manuscripts receive rapid constructive peer opinions and feedback across interdisciplinary boundaries. IET Nanobiotechnology covers all aspects of research and emerging technologies including, but not limited to: Fundamental theories and concepts applied to biomedical-related devices and methods at the micro- and nano-scale (including methods that employ electrokinetic, electrohydrodynamic, and optical trapping techniques) Micromachining and microfabrication tools and techniques applied to the top-down approach to nanobiotechnology Nanomachining and nanofabrication tools and techniques directed towards biomedical and biotechnological applications (e.g. applications of atomic force microscopy, scanning probe microscopy and related tools) Colloid chemistry applied to nanobiotechnology (e.g. cosmetics, suntan lotions, bio-active nanoparticles) Biosynthesis (also known as green synthesis) of nanoparticles; to be considered for publication, research papers in this area must be directed principally towards biomedical research and especially if they encompass in vivo models or proofs of concept. We welcome papers that are application-orientated or offer new concepts of substantial biomedical importance Techniques for probing cell physiology, cell adhesion sites and cell-cell communication Molecular self-assembly, including concepts of supramolecular chemistry, molecular recognition, and DNA nanotechnology Societal issues such as health and the environment Special issues. Call for papers: Smart Nanobiosensors for Next-generation Biomedical Applications - https://digital-library.theiet.org/files/IET_NBT_CFP_SNNBA.pdf Selected extended papers from the International conference of the 19th Asian BioCeramic Symposium - https://digital-library.theiet.org/files/IET_NBT_CFP_ABS.pdf