大西洋鳕鱼肌红蛋白血管紧张素转化酶抑制肽的计算机模拟评估

Computer Simulation Evaluation of Angiotensin-Converting Enzyme Inhibitory Peptides from Gadus morhua Myoglobin

本研究的主要目的是通过计算机模拟胃肠消化的方法推定大西洋鳕鱼的肌红蛋白中生物活性肽出现的概率及其丰度。从NCBI数据库中得到肌红蛋白的氨基酸序列并下载,将其导入Peptide Cutter中选用不同的酶模拟酶解,并在BIOPEP-UWM的“酶促工具”中对其短肽进行分析,在Toxin Pred中分析其理化性质、毒性特征。同时,将结果导入Peptide Ranker中对肽活性进行排序,并从中筛选出两种血管紧张素转化酶(Angiotensin Converting Enzyme,ACE)抑制肽CW和LFPK,将活性较高的肽与ACE进行分子对接,分析了CW和LFPK的ACE抑制机制,为从食品中寻找ACE抑制肽的研究提供参考。

The main purpose of this study is to estimate the occurrence probability and abundance of bioactive peptides in myoglobin of Gadus morhua by computer simulation of gastrointestinal digestion.Obtain and download the amino acid sequence of myoglobin from the NCBI database,import it into Peptide Cutter,select different enzymes to simulate enzymatic hydrolysis,and analyze its short peptide in the“enzymatic tool”of BIOPEP-UWM,and the physical and chemical properties and toxicity characteristics were analyzed in the Toxin Pred.Meanwhile,the results were imported into Peptide Ranker to rank the peptide activities,and two angiotensin converting enzyme(ACE)inhibitory peptides CW and LFPK were screened out,and the peptides with higher activity were combined with ACE molecular docking was performed to analyze the ACE inhibitory mechanism of CW and LFPK,to provide a reference for the research of finding ACE inhibitory peptides from food.