罗非鱼皮胶原蛋白肽结构鉴定及抗氧化机制研究

Structural identification and antioxidant mechanism of Tilapia skin collagen peptides

中文关键词:  罗非鱼皮  胶原蛋白  抗氧化肽  虚拟筛选  分子对接  分子动力学模拟

英文关键词:tilapia skin  collagen  antioxidant peptide  virtual screening  molecular docking  Molecular dynamics simulation

中文摘要:

      目的 该研究旨在鉴定罗非鱼皮胶原蛋白抗氧化肽结构并阐明其机制。方法 利用液质联用串联质谱鉴定罗非鱼皮胶原蛋白肽结构,通过计算机辅助虚拟筛选潜在抗氧化肽,以1,1-二苯基-2-三硝基苯肼(1,1-diphenyl-2-picryl-hydrazyl radical,DPPH)、2,2"-联氮-双-3-乙基苯并噻唑啉-6-磺酸(2, 2"-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid),ABTS)自由基清除能力为指标进行体外抗氧化活性评价。结果 结果表明,罗非鱼皮胶原蛋白肽TMQTEADEE、EADIDGDGQ和SVDDAINMA具有抗氧化活性,其DPPH自由基清除能力IC50值分别为2.71±0.07、4.79±0.24和3.88±0.10 mmol/L；其ABTS自由基清除能力IC50值分别为4.72±0.12、7.13±0.02和5.12±0.04 mmol/L。Keap1中的残基Arg 380、Asn382、Arg415、Pro384、Ser383和Arg483是与罗非鱼皮胶原蛋白肽结合的关键氨基酸,其主要作用力是氢键、盐桥和吸引电荷相互作用。分子动力学模拟表明,肽可与与Keap1蛋白紧密结合,具有稳定的结合构象。结论 该研究鉴定出三条具有抗氧化活性的罗非鱼皮胶原蛋白肽,为罗非鱼皮胶原蛋白肽的开发利用提供了理论参考。

英文摘要:

      Objective This study aimed to identify the antioxidant peptides from tilapia skin collagen and elucidate its action mechanism. Methods Tilapia skin collagen-derived peptides were characterized using Liquid-mass tandem mass spectrometry, and the peptides with potential antioxidant effect were screened by computer-assisted virtual screening, and their in vitro antioxidant activity was investigated using DPPH and ABTS radical scavenging capacity. Results The results showed that the tilapia skin collagen-derived peptides TMQTEADEE, EADIDGDGQ and SVDDAINMA possessed antioxidant activities, and their DPPH radical scavenging capacity IC50 values were 2.71±0.07,4.79±0.24 and 3.88±0.10 mmol/L, respectively; and their ABTS radical scavenging capacity IC50 values were 4.72±0.12,7.13±0.02 and 5.12±0.04 mmol/L. Residues Arg 380, Asn382, Arg415, Pro384, Ser383 and Arg483 in Keap1 are the key amino acids binding to tilapia skin collagen peptides, and the main forces involved are hydrogen bonding, salt bridging and attraction charge interaction. Molecular dynamics simulations show that the peptide binds tightly to the Keap1 protein with a stable binding conformation. Conclusion This study identified three tilapia skin collagen peptides with antioxidant activity, which provided theoretical reference for the development and utilisation of tilapia skin collagen peptides.