C K Rajendran Subin R, Mason Beth, Udenigwe Chibuike C
Department of Environmental Sciences, Dalhousie University , Truro, Nova Scotia B2N 5E3, Canada.
Verschuren Centre for Sustainability in Energy and the Environment, Cape Breton University , Sydney, Nova Scotia B1P 6L2, Canada.
J Agric Food Chem. 2016 Mar 23;64(11):2432-7. doi: 10.1021/acs.jafc.6b00418. Epub 2016 Mar 10.
Bioinformatic tools are useful in predicting bioactive peptides from food proteins. This study was focused on using bioinformatics and peptidomics to evaluate the specificity of peptide release and post-translational modifications (PTMs) in a peptic digest of potato protein isolate. Peptides in the protein hydrolysate were identified by LC-MS/MS and subsequently aligned to their parent potato tuber proteins. Five major proteins were selected for further analysis, namely, lipoxygenase, α-1,4-glucan phosphorylase, annexin, patatin, and polyubiquitin, based on protein coverage, abundance, confidence levels, and function. Comparison of the in silico peptide profile generated with ExPASy PeptideCutter and experimental peptidomics data revealed several differences. The experimental peptic cleavage sites were found to vary in number and specificity from PeptideCutter predictions. Average peptide chain length was also found to be higher than predicted with hexapeptides as the smallest detected peptides. Moreover, PTMs, particularly Met oxidation and Glu/Asp deamidation, were observed in some peptides, and these were unaccounted for during in silico analysis. PTMs can be formed during aging of potato tubers, or as a result of processing conditions during protein isolation and hydrolysis. The findings provide insights on the limitations of current bioinformatics tools for predicting bioactive peptide release from proteins, and on the existence of structural modifications that can alter the peptide bioactivity and functionality.
生物信息学工具在预测食物蛋白中的生物活性肽方面很有用。本研究聚焦于利用生物信息学和肽组学来评估马铃薯分离蛋白胃蛋白酶消化物中肽释放的特异性和翻译后修饰(PTMs)。通过液相色谱-串联质谱(LC-MS/MS)鉴定蛋白质水解物中的肽,并随后将其与其亲本马铃薯块茎蛋白进行比对。基于蛋白质覆盖率、丰度、置信水平和功能,选择了五种主要蛋白质进行进一步分析,即脂氧合酶、α-1,4-葡聚糖磷酸化酶、膜联蛋白、马铃薯球蛋白和多聚泛素。将用ExPASy PeptideCutter生成的计算机模拟肽谱与实验肽组学数据进行比较,发现了一些差异。发现实验性胃蛋白酶切割位点在数量和特异性上与PeptideCutter的预测不同。还发现平均肽链长度高于预测值,检测到的最小肽为六肽。此外,在一些肽中观察到了翻译后修饰,特别是甲硫氨酸氧化和谷氨酸/天冬氨酸脱酰胺,而这些在计算机模拟分析中未被考虑。翻译后修饰可在马铃薯块茎老化过程中形成,或由于蛋白质分离和水解过程中的加工条件而形成。这些发现为当前用于预测蛋白质中生物活性肽释放的生物信息学工具的局限性以及可能改变肽生物活性和功能的结构修饰的存在提供了见解。