Effects of macromolecular crowding on protein folding

IWTCP-2; NCTP-39

Thuy, Bui Phuong^1,2 ; Huong, Hoang Thi Thu^1 ; Hoang, Trinh X^1

Institute of Physics, Vietnam Academy of Science and Technology, 10 Dao Tan, Ba Dinh, Ha Noi, Viet Nam^1

Nam Dinh University of Technology Education, Phu Nghia, Loc Ha, Nam Dinh, Viet Nam^2

关键词: Cytosols;    In-vivo;    Langevin equation;    Macromolecular crowding;    Molecular dynamics simulation methods;    Scaled-particle theories;    Soft spheres;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/627/1/012027/pdf
DOI  :  10.1088/1742-6596/627/1/012027

来源: IOP

【 摘 要 】

Folding of proteins in vivo is influenced by the presence of a high concentration of macromolecules in the cytosol. In this study we investigate the effects of macromolecular crowding on folding of proteins by using molecular dynamics simulation method with Langevin equations. The protein is considered in a Go-like model whereas crowders are modeled as soft spheres. In our simulations, protein and crowders are enclosed in a spherical container. It is shown that the crowders enhance the folding transition temperature as well as folding stability of protein. The effect of crowders on the folding free energy is found to agree with Minton's scaled particle theory.