Key Laboratory of Coarse Cereal Processing, Ministry of Agriculture and Rural Affairs, Chengdu University, Chengdu 610106, China.
Key Laboratory of Coarse Cereal Processing, Ministry of Agriculture and Rural Affairs, Chengdu University, Chengdu 610106, China.
Food Chem. 2021 Oct 15;359:129960. doi: 10.1016/j.foodchem.2021.129960. Epub 2021 Apr 28.
The interaction between lipase and quercetin 3-rhamnoside was studied by fluorescence spectroscopy, enzyme kinetics, and molecular dynamics simulation. The results showed that quercetin 3-rhamnoside had a strong quenching effect on the intrinsic fluorescence of lipase. The binding constant decreased with increasing temperature, and the number of binding sites approached 1. Thermodynamic parameters indicated that hydrogen bonding and van der Waals forces are the dominant forces when the interaction occurs. Circular dichroism spectroscopy and infrared spectroscopy proved that the ligand perturbed the structure of lipase. Enzyme kinetics results showed that quercetin 3-rhamnoside inhibited lipase, and the inhibitory effect was dose-dependent. Molecular dynamics simulation further explained the interaction mechanism and inhibitory effect. This study confirmed the inhibitory effect of quercetin 3-rhamnoside on lipase explained their binding mechanism, which will contribute to guiding the development of fat-reducing functional foods.
通过荧光光谱法、酶动力学和分子动力学模拟研究了脂肪酶与槲皮素 3-鼠李糖苷之间的相互作用。结果表明，槲皮素 3-鼠李糖苷对脂肪酶的内源荧光有很强的猝灭作用。结合常数随温度的升高而降低，结合位点数接近 1。热力学参数表明，氢键和范德华力是相互作用时的主要作用力。圆二色光谱和红外光谱证明配体使脂肪酶的结构发生了扰动。酶动力学结果表明，槲皮素 3-鼠李糖苷抑制脂肪酶，抑制作用呈剂量依赖性。分子动力学模拟进一步解释了相互作用机制和抑制作用。该研究证实了槲皮素 3-鼠李糖苷对脂肪酶的抑制作用，解释了它们的结合机制，这将有助于指导减脂功能性食品的开发。
