新型喹啉噻唑烷二酮杂化物作为潜在的抗糖尿病PPARγ调节剂的设计与合成。

IF 3.9 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES
Ayman M Ibrahim, Mai E Shoman, Radwa Taher Mohie El-Dien, Entesar Ali Saber, Mahmoud Abdelnaser, Sherif A Maher, Alaa M Hayallah, Mahmoud Abdul-Aziz El-Rehany, Gamal El-Din A Abuo-Rahma
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引用次数: 0

摘要

过氧化物酶体增殖物激活受体γ (PPARγ)由于其在葡萄糖和脂质代谢中的作用而成为抗糖尿病药物开发的关键靶点。然而,与噻唑烷二酮类完全激动剂相关的副作用,如体重增加和肝毒性,限制了它们的临床应用。在此,我们设计和合成了(Z)-5-苄基-3-((2-氯喹啉-3-基)甲基)噻唑烷-2,4-二酮(化合物7),这是一种新型的TZD衍生物,具有潜在的PPARγ调节剂的功能。化合物7在每日单次口服治疗15天后降低血糖水平(BGL) 22.33%,显示出与TZDs相当的降糖效果。此外,它将PPARγ的表达提高到吡格列酮(PIO)诱导的激活水平的75%。进一步的安全性分析表明,与PIO相比,化合物7对肝脏更安全,因为其谷丙转氨酶(ALT)和天冬氨酸转氨酶(AST)水平仍显著降低(分别为147.4±4.2 IU/L和229.9±2.7 IU/L)。此外,化合物7对肝脏和胰腺组织具有保护作用。计算代谢研究预测化合物7不会产生有毒代谢物,也不会发生TZD环的水解,从而提高了其安全性。化合物7与PPARγ配体结合域(LBD)的对接显示了一种独特的结合模式,将其定位在LBD的中心,并与选择性调制的关键氨基酸相互作用。这些发现强调了化合物7作为一种选择性PPARγ调节剂的潜力,可以将胰岛素增敏效应与不良副作用分离开来,为目前基于tzd的治疗提供了一种更安全的替代方案。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Design and synthesis of a novel quinoline thiazolidinedione hybrid as a potential antidiabetic PPARγ modulator.

Peroxisome proliferator-activated receptor γ (PPARγ) remains a critical target for antidiabetic drug development due to its role in glucose and lipid metabolism. However, the adverse effects associated with full agonists of the thiazolidinedione (TZD) class, such as weight gain and hepatotoxicity, limit their clinical utility. Herein, we report the design and synthesis of (Z)-5-benzylidene-3-((2-chloroquinolin-3-yl)methyl)thiazolidine-2,4-dione (compound 7), a novel TZD derivative that functions as a potential PPARγ modulator. Compound 7 reduced blood glucose level (BGL) by 22.33% after 15 days of treatment with a daily single oral dose, demonstrating an antidiabetic effect comparable to TZDs. Additionally, it elevated PPARγ expression to 75% of the activation level induced by Pioglitazone (PIO). Further characterization of its safety profile reveals that compound 7 is safer on the liver compared to PIO, as alanine transaminase (ALT) and aspartate transaminase (AST) levels remained significantly lower (147.4 ± 4.2 IU/L and 229.9 ± 2.7 IU/L, respectively). Moreover, compound 7 exerts a protective effect on hepatic and pancreatic tissues. Computational metabolic studies predict that compound 7 does not produce toxic metabolites or undergo hydrolysis of the TZD ring, contributing to its improved safety. The docking of Compound 7 into the PPARγ ligand-binding domain (LBD) demonstrates a unique binding mode, positioning it centrally within the LBD and interacting with key amino acids critical for selective modulation. These findings emphasize the potential of compound 7 as a selective PPARγ modulator to dissociate insulin-sensitizing effects from adverse side effects, offering a safer alternative to current TZD-based therapies.

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来源期刊
Scientific Reports
Scientific Reports Natural Science Disciplines-
CiteScore
7.50
自引率
4.30%
发文量
19567
审稿时长
3.9 months
期刊介绍: We publish original research from all areas of the natural sciences, psychology, medicine and engineering. You can learn more about what we publish by browsing our specific scientific subject areas below or explore Scientific Reports by browsing all articles and collections. Scientific Reports has a 2-year impact factor: 4.380 (2021), and is the 6th most-cited journal in the world, with more than 540,000 citations in 2020 (Clarivate Analytics, 2021). •Engineering Engineering covers all aspects of engineering, technology, and applied science. It plays a crucial role in the development of technologies to address some of the world''s biggest challenges, helping to save lives and improve the way we live. •Physical sciences Physical sciences are those academic disciplines that aim to uncover the underlying laws of nature — often written in the language of mathematics. It is a collective term for areas of study including astronomy, chemistry, materials science and physics. •Earth and environmental sciences Earth and environmental sciences cover all aspects of Earth and planetary science and broadly encompass solid Earth processes, surface and atmospheric dynamics, Earth system history, climate and climate change, marine and freshwater systems, and ecology. It also considers the interactions between humans and these systems. •Biological sciences Biological sciences encompass all the divisions of natural sciences examining various aspects of vital processes. The concept includes anatomy, physiology, cell biology, biochemistry and biophysics, and covers all organisms from microorganisms, animals to plants. •Health sciences The health sciences study health, disease and healthcare. This field of study aims to develop knowledge, interventions and technology for use in healthcare to improve the treatment of patients.
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