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

doi:10.7523/j.issn.2095-6134.2017.01.008

Abstract

Abstract:

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-2 molecule 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.

Key words: bone morphogenetic protein-2, self-assembled monolayers, protein adsorption, molecular dynamics simulation

CLC Number:

O642

WANG Fengsheng. Adsorption of bone morphogenetic protein-2 on different self-assembled monolayers[J]. , 2017, 34(1): 55-63.

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