新型1,2-苯并噻唑衍生物的抗炎特性及其与磷脂模型膜的相互作用。

IF 3.3 4区 工程技术 Q2 CHEMISTRY, PHYSICAL
Berenika M Szczęśniak-Sięga, Jadwiga Maniewska, Benita Wiatrak, Tomasz Janek, Paulina Nowotarska, Żaneta Czyżnikowska
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引用次数: 0

摘要

新型抗炎药物的设计仍然是开发有效治疗炎症性疾病的关键研究领域。在这项研究中,一系列1,2-苯并噻嗪通过多方面的方法进行评估。特别是,我们研究了潜在药物与脂质双分子层的潜在相互作用,这是考虑膜通透性和整体药代动力学的重要因素。此外,我们通过环加氧酶抑制实验和分子对接模拟,评估了它们抑制环加氧酶1和环加氧酶2活性和选择性的能力。为了评估它们的治疗潜力,我们进行了体外实验来测量炎症细胞中细胞因子mRNA的表达。通过2,2-二苯基-1-picrylhydrazyl和2,2-氮基- 2- 3-乙基苯并噻唑啉-6-磺酸清除等体外实验来评估其抗氧化活性,以确定化合物中和自由基和减少氧化应激的能力。理论计算,包括密度泛函理论,被用来预测化合物的反应性分布。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Anti-Inflammatory Properties of Novel 1,2-Benzothiazine Derivatives and Their Interaction with Phospholipid Model Membranes.

The design of novel anti-inflammatory drugs remains a critical area of research in the development of effective treatments for inflammatory diseases. In this study, a series of 1,2-benzothiazine was evaluated through a multifaceted approach. In particular, we investigated the potential interactions of the potential drugs with lipid bilayers, an important consideration for membrane permeability and overall pharmacokinetics. In addition, we evaluated their ability to inhibit cyclooxygenase 1 and cyclooxygenase 2 activity and selectivity using both a cyclooxygenase inhibition assay and molecular docking simulations. To evaluate their therapeutic potential, we performed in vitro assays to measure cytokine mRNA expression in inflamed cells. The antioxidant activity was evaluated using both in vitro assays, such as 2,2-diphenyl-1-picrylhydrazyl and 2,2-azino-bis-3-ethylbenzothiazoline-6-sulphonic acid scavenging, to determine the compounds' capacity to neutralize free radicals and reduce oxidative stress. Theoretical calculations, including density functional theory, were used to predict the reactivity profiles of the compounds.

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来源期刊
Membranes
Membranes Chemical Engineering-Filtration and Separation
CiteScore
6.10
自引率
16.70%
发文量
1071
审稿时长
11 weeks
期刊介绍: Membranes (ISSN 2077-0375) is an international, peer-reviewed open access journal of separation science and technology. It publishes reviews, research articles, communications and technical notes. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. There is no restriction on the length of the papers. Full experimental and/or methodical details must be provided.
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