【摘要】 为了确定人类白细胞抗原 (HLA)三维结构配型的标准 ,总结出主要的可允许错配和免疫原性错配等位基因 ,我们采用分子模拟技术模拟了HLA分子的三维结构 ,用计算机软件比较模拟结构间的差异大小。结果表明 ,HLA分子模拟结构间的差异不同 ,在大量统计分析基础上可以认为 ,HLA A和 B分子整体相对均方差 (relativemeansquaredeviation ,RMSD ,单位nm)大于 0 .0 4nm为差异显著 ,小于 0 .0 2nm为差异不显著 ;DRB1位点间RMSD大于 0 .0 2nm为差异显著 ,小于 0 .0 1nm为差异不显著 ,据此进一步总结了主要的可允许错配和免疫原性错配等位基因情况。本研究提示 ,HLA三维结构配型是移植配型领域的新观点 ,值得进一步深入研究。更多还原

【Abstract】 The purpose of the research is to provide a new standard for matching of HLA three-dimensional structure, and summarize the major permissible mismatch and immunogenic mismatch antigens. The molecular modeling method was used to create HLA molecular structures by Swiss Model Server, and the comparison of the differences among the alleles was done by SPDV software with the function of iterative magic fit. The results were recorded by relative mean square deviation(RMSD, nm). The differences among alleles were scattered below 0.06 nm for HLA-A and -B molecules, and below 0.03 nm for HLA-DRB1 molecules. On the basis of the statistical analysis, when RMSD is greater than 0.04 nm for -A and -B molecules and 0.02 nm for -DRB1 molecules, the difference is meaningful and can be related with graft versus host disease. When RMSD is lower than 0.02 nm for -A and -B molecules and 0.01 nm for -DRB1 molecules, the difference is decided unmeaningful. From the data, the permissible mismatch and immunogenic mismatch alleles within HLA-A, HLA-B and HLA-DRB1 molecules were summarized. Three-dimensional structure matching is a new area in the transplantation field, much research should be done in the future.更多还原