为进一步挖掘牛骨胶原蛋白肽的功能,该研究采用生物信息学方法对其血管紧张素转化酶(angiotensin-converting enzyme,ACE)和二肽基肽酶-IV(dipeptidyl peptidase-IV,DPP-IV)的抑制活性进行高效分析预测。通过生物信息学筛选出60条新的具有潜在生物活性的肽,并预测出对ACE和DPP-IV具有潜在抑制活性;分子对接可视化结果显示,肽可以与酶的活性位点通过氢键和疏水相互作用产生结合,从而发挥抑制作用。体外实验表明,牛骨胶原蛋白肽对ACE、DPP-IV的半抑制浓度(half maximal inhibitory concentration,IC50)分别为3.48 mg/mL 和19.94 mg/mL,其对于ACE具有较强的抑制活性,符合生物信息学的活性预测结果。该研究通过生物信息学方法预测并验证了牛骨胶原蛋白肽具有良好的ACE和DPP-IV抑制活性,这为应用生物信息学预测牛骨胶原蛋白肽的功能提供了科学指导。
In recent years, along with in-depth research on the function of collagen peptide, methods for identifying its activity are also highly attractive.Here, to further explore the functions of bovine bone collagen peptide, the bioinformatics method was applied to efficiently analyze and predict its inhibitory activities on angiotensin-converting enzyme (ACE) and dipeptidyl peptidase-IV (DPP-IV), and the predicted results were verified through in vitro experiments.The 60 new peptides with potential biological activity were screened by bioinformatics analysis, and their potential inhibitory activities against ACE and DPP-IV were predicted.The molecular docking visualization results showed that the peptides could bind to the active site of the enzymes through hydrogen bond and hydrophobic interaction and thereby inhibit these two enzymes.In vitro experiments showed that the half maximal inhibitory concentration (IC50) of bovine bone collagen peptide for ACE and DPP-IV was 3.48 mg/mL and 19.94 mg/mL respectively, indicating stronger inhibitory activity against ACE.Such experimental results were consistent with the bioinformatic predictions.This study demonstrated that bovine bone collagen peptide has efficient ACE and DPP-IV inhibitory activities as predicted and validated by bioinformatics methods and provided scientific guidance for applying bioinformatics to predict the functions of bovine collagen peptide.
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