鼠抗人纤维蛋白抗体单链Fv片段的三维结构模建

用Ｂｉｓｙｍ公司开发的计算机辅助分子设计系统模建了鼠人纤维蛋白抗体Ｆｖ片段的三维结构。Ｆｖ是由重链可变区和轻链可变区两个结构域组成的具有抗原结合能力的最小抗体片段。先分别模建了Ｖｈ和Ｖ１两个结构域，然后搭建出Ｆｖ片段的整体三维结构，并对模建的结构进行了分子力学和动力学优化。

Modelling of the 3 D structure of the single chain Fv fragment of mouse antibody against human fibrin

In the study, the three dimensional structure of the single chain Fv fragment of mouse antibody against human fibrin, cloned by the phage display techniques in the lab, was modelled by using the computer aided molecular design system developed by BIOSYM. Fv, the smallest antibody fragment with the competence in binding the antigen, is composed of two domains of Vh (heavy variable region) and Vl (light variable region). In the paper, the homology modelling of Vh and Vl domains of the Fv fragment is reported. Based on these, the whole three dimensional structure of the Fv was constructed. Then the model structure was refined by the methods of molecular mechanics and dynamics. The refined structure was proved reasonable by Profile 3D program.