利用高分辨质谱结合生物信息学分析预测注射用心肌肽中的生物活性肽

Prediction of bioactive peptides from cardiomyopeptide for injection using high-resolution mass spectrometry in combination with bioinformatics analyses

目的:基于高分辨率质谱多肽鉴定技术,分析注射用心肌肽中多肽类物质组成,并采用生物信息技术预测多肽的生物活性。方法:注射用心肌肽净化除盐后,以Orbitrap Fusion Lumos三合一高分辨质谱系统对混合多肽进行鉴定,利用BIOPEP-UWM数据库工具预测肽兰克评分≥0.80的肽段的潜在生物活性。结果:注射用心肌肽经分析鉴定出799条肽段,分别来源于70种蛋白质,主要为肌动蛋白、血红蛋白亚基α、ADP/ATP移位酶3等。肽兰克评分≥0.80的10条肽段中具有丰富的血管紧张素转化酶抑制活性(ACEi)、二肽基肽酶-4抑制活性(DPP4i)及抗氧化活性(AO)氨基酸片段。结论:超高效液相色谱-高分辨质谱联合技术及生物信息技术为多组分生化药分析鉴定及活性预测提供便捷手段。注射用心肌肽的心肌保护等作用的物质基础可能源于其中的多肽影响血管紧张素转化酶、抗氧化及二肽基肽酶-4等多种生物活性。

Objective:To identify the peptides and predict bioactivity of the peptides in cardiomyopeptide for injection with high-resolution mass spectrometry.Methods:Orbitrap Fusion Lumos high-resolution mass spectrometry were employed to investigate the peptides after desalination and the peptides with Peptide Ranker score≥0.80 were subjected to BIOPEP-UWM database for in silico analysis to predict potential biological activities.Results:799 peptides were identified from 70 proteins such as actin,hemoglobin subunit,ADP/ATP translocase 3 in cardiomyopeptide.The ten peptides with peptide rank score≥0.80 showed angiotensin converting enzyme inhibitory activity(ACEi),dipeptidyl peptidase 4 inhibitory activity(DPP4i)and antioxidant activity(AO).Conclusion:Ultra-performance liquid chromatography combined with high-resolution mass spectrometry and bioinformatics provide convenient technology for analysis of multicomponent biochemical drugs,the cardioprotective actions of cardiomyopeptide may be the synergetic effects of the peptides on such as ACEi,AO and DPP4i.