一种水蛭素类融合蛋白与凝血酶作用的动力学模拟

摘要

Hirudin is one of the most potent anti-coagulant protein ever found, and its C-terminus is a keyrndomain for inhibiting thrombin. In order to enhance its specificity, a novel anti-coagulant protein wasrnconstructed via fusing the C-terminus of hirudin to Annexin V, which was expected to sustain both antirncoagulant activity and phorspholipid affinity. The structure of the designed protein was predicted with bothrnmolecular mechanics and dynamics. Molecular dynamics was adopted to simulate the docking interaction betweenrnthe fusion protein and thrombin. The results showed the inhibitory activity of the fusion protein to thrombin.%通过将凝血酶抑制剂水蛭素的C端20肽片段嫁接到血小板结合蛋白AnnexinV上，可以期望获得既具有rn抗凝血活性，同时又具有导向性的新型工程蛋白质分子.利用计算机辅助分子设计手段模拟了该融合蛋白的分rn子结构，并对该融合蛋白对凝血酶的抑制作用进行了分子动力学模拟，得到了支持上述想法的结果.