骨形态发生蛋白2在带电自组装单层膜上的吸附(英文)  

Adsorption of bone morphogenetic protein-2 on different self-assembled monolayers

作　　者：王凤圣 

机构地区：[1]中国科学院大学材料科学与光电技术学院,北京100049

出　　处：《中国科学院大学学报（中英文）》2017年第1期55-63,共9页Journal of University of Chinese Academy of Sciences

摘　　要：骨形态发生蛋白2(BMP-2)在人体组织和器官的再生过程中起着重要的作用.利用分子动力学模拟(MD)的方法探究BMP-2在带正电荷和负电荷的自组装单层膜(SAMs)上的吸附情况.SAMs是由分子CH3-(CH2)9-X组成,其末端官能团选择为SO-和N(CH3)+33.模拟结果显示,尽管BMP-2带8个负电荷,在带负电和正电的表面都能被吸附.更有趣的是,发现蛋白的吸附强度还取决于BMP-2表面带电氨基酸的分布情况.此外,BMP-2吸附在正电荷表面后活性位点朝向表面,吸附在负电荷表面后活性位点朝向溶液.Bone morphogenetic protein-2（ BMP-2） plays a key role in regeneration of tissues and organs. In this work,we use molecular dynamics（ MD） simulation to investigate the adsorption of a BMP-2 molecule on the negatively and positively charged self-assembled monolayers（ SAMs）. The model monolayers are formed by placing alkanethiols, CH3^-（ CH2）9-X, where the terminal functional group X is assigned to SO3^-and N（ CH3）3^＋. Simulation results show that the BMP-2molecule can be adsorbed on both the negatively and positively charged SAMs,even though the net charge of BMP-2 is- 8e. Interestingly,we find that the adsorption strength also depends on the distribution of charged amino acid residues on protein surface. Moreover,the active site of BMP-2 is oriented toward the surface when it is adsorbed on the positively charged surface,whereas the active site of BMP-2 is oriented toward the solution when it is adsorbed on the negatively charged surface.This work provides a perspective into the interactions of BMP-2 with differently charged SAMs.

关 键 词：骨形态发生蛋白2 自组装单层膜 蛋白吸附 分子动力学模拟 

分 类 号：O642[理学—物理化学]