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首页> 外文期刊>RSC Advances >Understanding the mechanism of non-enzymatic glycation inhibition by cinnamic acid: an in vitro interaction and molecular modelling study
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Understanding the mechanism of non-enzymatic glycation inhibition by cinnamic acid: an in vitro interaction and molecular modelling study

机译：了解肉桂酸的非酶促糖化抑制机理：体外相互作用和分子建模研究

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Under hyperglycaemic conditions non-enzymatic glycation of proteins gives rise to advanced glycation end products (AGEs). The AGEs thus formed generate free radicals, which foster the development of diabetes and its associated complications. Inhibition of glycation is expected to play a role in controlling diabetes. Plant derived antioxidants like cinnamic acid (CA) are known for limiting AGE formation, however, the mechanism involved is poorly understood. Therefore, we aimed to investigate the possible mechanism of inhibition of AGEs formation by CA through various experimental approaches. Glycation of HSA was achieved by incubating the reaction mixture with glucose for 30 days at 37 °C. The protein samples were tested for levels of free lysineandthiol groups, carbonyl content and reactive oxygen species (ROS). Interaction between CA and HSA was also studied through various biophysical techniques. Thermodynamic studies showed a strong exothermic interaction between CA and HSA. The positive value of T Δ S ° and negative value of Δ H ° indicates that the HSA–CA complex is mainly stabilized by a hydrophobic interaction and hydrogen bond. Further, molecular docking reveals that CA binds to HSA subdomain IIA (Sudlow's site I) with a binding energy of ?7.0 kcal mol ~(?1) , nearly the same as obtained in isothermal titration calorimetry (ITC) and fluorescence spectroscopy. The results of various spectroscopic techniques along with molecular docking and examination of many biomarkers highlights the role of CA in preventing disease progression.
机译：在高血糖条件下，蛋白质的非酶促糖化导致先进的糖化末端产物（年龄）。由此形成的年龄产生自由基，促进糖尿病的发展及其相关的并发症。预计对糖尿病的抑制性可能在控制糖尿病方面发挥作用。植物衍生的抗氧化剂如肉桂酸（CA），以限制年龄形成，然而，所涉及的机制理解得很差。因此，我们旨在通过各种实验方法研究CA抑制年龄形成的可能机制。通过在37℃下将反应混合物与葡萄糖一起温育30天来实现HSA的糖化。测试蛋白质样品的游离赖氨酸硫醇基团，羰基含量和反应性氧（ROS）。还通过各种生物物理技术研究了CA和HSA之间的相互作用。热力学研究表明CA和HSA之间的强烈的放热相互作用。 TδS°的正值和δh°的负值表明HSA-Ca络合物主要通过疏水相互作用和氢键稳定。此外，分子对接显示Ca与HSA子域IIA（Sudlow的部位I）与α.7.0kcalmol〜（α1）的结合能结合，与等温滴定热量（ITC）和荧光光谱中获得的几乎相同。各种光谱技术以及许多生物标志物的分子对接和检查的结果突出了Ca在预防疾病进展方面的作用。

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