CAJ | 학술논문

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.
통과장응혈매억제제수질소적C단20태편단가접도혈소판결합단백AnnexinV상，가이기망획득기구유 항응혈활성，동시우구유도향성적신형공정단백질분자.이용계산궤보조분자설계수단모의료해융합단백적분 자결구，병대해융합단백대응혈매적억제작용진행료분자동역학모의，득도료지지상술상법적결과.
Hirudin is one of the most potent anti-coagulant protein ever found, and its C-terminus is a key domain for inhibiting thrombin. In order to enhance its specificity, a novel anti-coagulant protein was constructed via fusing the C-terminus of hirudin to Annexin V, which was expected to sustain both anti coagulant activity and phorspholipid affinity. The structure of the designed protein was predicted with both molecular mechanics and dynamics. Molecular dynamics was adopted to simulate the docking interaction between the fusion protein and thrombin. The results showed the inhibitory activity of the fusion protein to thrombin.