Inhibitory effect of astaxanthin on pancreatic lipase with inhibition kinetics integrating molecular docking simulation
Inhibitory effect of astaxanthin on pancreatic lipase with inhibition kinetics integrating molecular docking simulation
复制标题
结合分子对接模拟的抑制动力学研究虾青素对胰腺脂肪酶的抑制作用
DOI：
10.1016/j.jff.2018.07.045
复制
发表时间：
2018-09-01
影响因子：
5.6
通讯作者：
Li, Qingbiao
中科院分区：
文献类型：
--
作者：
Du, Xiping;Bai, Manli;Li, Qingbiao
虾青素是一种天然色素，具有预防肥胖的功效，但其潜在机制尚不清楚。本研究制备了红法夫虾青素并评价其对胰脂肪酶的抑制作用。结果表明，在测试浓度范围内，虾青素显着抑制胰脂肪酶活性，且呈剂量依赖性。动力学分析表明虾青素非竞争性抑制胰腺脂肪酶活性。此外，虾青素诱导二级结构变化，导致酶活性降低。此外，分子对接分析表明，虾青素通过改变催化位点构象，阻断催化位点通道，延迟底物进入或阻止产物扩散。这些研究结果不仅揭示了虾青素抑制胰脂肪酶的潜在机制，也为扩大虾青素在功能食品行业的应用提供了科学依据。
Astaxanthin is a natural pigment that possesses benefit potentials to prevent obesity, however, its underlying mechanism is not clarified. In the current study, Phaffia rhodozyma astaxanthin was prepared and its inhibitory effect on pancreatic lipase was evaluated. The results showed that astaxanthin significantly inhibited the activity of pancreatic lipase in a dose-dependent manner within the tested concentration ranges. The kinetic analysis demonstrated that astaxanthin noncompetitively inhibited pancreatic lipase activity. In addition, astaxanthin induced secondary structure changes which resulted in decreased enzyme activities. Furthermore, the molecular docking analysis revealed that astaxanthin blocked the channel of catalytic site to delay substrate entrance or prevent product diffusion through changing the catalytic site conformation. These findings not only shed light on the underlying inhibitory mechanism of astaxanthin on pancreatic lipase, but also provide scientific evidence for extending the application of astaxanthin in functional food industries.