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研究发现,取自蓝铜蛋白azurin的一段多肽p28能够进入癌细胞,结合到肿瘤抑制因子p53的DNA结合域上,进而增加p53的抗癌能力.本工作中,通过拉伸分子动力学方法,在原子尺度上研究了p28-p53 DBD复合物的解离过程.分析结果显示复合物的解离过程遵循着一定的分离顺序.对解离力的分析以及对沿着解离路径的不可逆做功的计算,使我们能够从复合物的能量地貌中提取有用的信息,而这些信息也决定了复合物的解离过程.
The study found that a polypeptide derived from the blue copper protein azurin p28 can enter the cancer cells, bind to the tumor suppressor p53 DNA binding domain, thereby increasing the anti-cancer ability of p53.In this work, by stretching molecular dynamics method, The dissociation process of the p28-p53 DBD complex was investigated on an atomic scale and the results showed that the dissociation of the complex followed a certain order of separation. The analysis of the dissociation force and the irreversible work done along the dissociation path Calculations allow us to extract useful information from the energy landscape of the complex, which also determines the dissociation of the complex.