PFCS有机氟污染物与血清蛋白结合机理研究
关键词：毒性；血清蛋白；分子对接；分子进化；同源建模
The binding mechanism of organic fluorine pollutants with serum protein
Abstract：With organic fluorides more and more widely used in medicine and pesticide, researching the toxicity of organic fluorine contaminants is increasingly important. Researching the toxicity of organic fluorine contaminants is increasingly important. We collected 22 kinds of organic fluorine contaminants from literature and explored the interaction between organic fluoride and human serum protein receptors by means of molecular docking. Docking results showed that 22 kinds of organic fluorine contaminants have the same butt way, which indicating the selected organic fluorine contaminants are likely to cause harm to humans. In order to analyze potential toxicity of organic fluorine contaminants to different organisms in ecological system, we collected a variety of biological serum protein sequences from NCBI, and classified. After full sequence alignment and core fragments comparison, we established the phylogenetic tree. The result showed that Mammalians have close affinity with human, especially Pongidae animals, which received higher danger from organic fluorine pollution. We further implemented serum protein homology modeling for dolphin and chimpanzees, build their serum protein three-dimensional structural models, and online assessment model. The results showed a reliable model and we can go on for molecular docking. The docking results were compared with PFOS and human serum protein docking results, we found that the number of amino acid residues and scoring values are very similar. The results illustrated the animals that have high homology with human, such as dolphins, chimpanzees and so on, likely received higher toxicity from organic fluorine pollutants, so we need to control emissions of organic fluorine contaminants to reduce damage to the environment.
Keywords: toxicity；serum protein；molecular docking；Molecular evolution；Homology modeling
毕业论文目录
1 绪论 1
1.1 研究的背景与目的 1
1.2 研究现状和进展 1
1.2.1 PFCS毒性研究 2
1.2.2 PFCS环境污染和环境毒性研究 2
1.2.3 全氟污染物毒性机理研究 2
1.2.4 PFCS生物富集研究 2
1.2.5 定量构效关系研究在污染物毒性、环境毒性和生物富集研究中的运用 3
1.3 主要研究内容 4
1.3.1 有机氟污染物与人血清白蛋白的结合机理研究 4