关键词: 酶解, 3-D图形, 曲面拟合, 动态表征, 活性多肽, 蛋白质结构, 高效凝胶排阻色谱

Abstract: A new method was used to analyze, characterize and simulate the kinetic behavior of bio-macromolecular enzymatic hydrolysis reaction based on bio-informatics, HPSEC and graphic processing. Tryptic hydrolysis of whole casein was selected as a model system. The possible reaction mechanism was deduced from a series of chromatographic results and experimental analysis. According to programming calculation and molecular simulation, product information, such as cleavage sites of protein and structure model of active peptides, was also obtained. Furthermore, a 3-D continuous surface and corresponding contour were plotted to characterize the dynamic process of protein enzymatic hydrolysis, and mathematical analysis of the surface-fit function was also carried out. The optimized polynominal equation can be applied to adjustment and control of the complex reaction. It is also beneficial to directional and quantitative preparation of target active peptides.

Key words: 酶解, 3-D图形, 曲面拟合, 动态表征, 活性多肽, 蛋白质结构, 高效凝胶排阻色谱