CATALYTIC SUBUNIT;
ENERGY LANDSCAPE;
PREDICTION;
CHAPERONES;
PATHWAYS;
DISEASE;
MODELS;
D O I:
10.1063/5.0231316
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
To manipulate the protein concentration at a certain functional state through chemical stabilizers is crucial for protein-related studies. It not only plays a key role in protein structure analysis and protein folding kinetics, but also affects protein functionality to a large extent and thus has wide applications in medicine, food industry, etc. However, due to concerns about side effects or financial costs of stabilizers, identifying optimal strategies for enhancing protein stability with a minimal amount of stabilizers is of great importance. Here, we prove that either for the fixed terminal time (including both finite and infinite cases) or for the free one, the optimal control strategy for stabilizing the folding intermediates with a linear strategy for stabilizer addition belongs to the class of bang-bang controls. The corresponding optimal switching time is derived analytically, whose phase diagram with respect to several key parameters is explored in detail. The bang-bang control will be broken when nonlinear strategies for stabilizer addition are adopted. Moreover, the above theory is applied to the stabilization of erythropoietin by ten different kinds of chemicals, providing theoretical guidance for the selection and rational usage of stabilizers. Our current study on optimal strategies for protein stabilizers not only offers deep insights into the general picture of protein folding kinetics but also provides valuable theoretical guidance on treatments for protein-related diseases in medicine.
机构:
Yunnan Univ Nationalities, Sch Math & Comp Sci, Kunming 650500, Peoples R China
Yunnan Univ, Lab Conservat & Utilizat Bioresources, Kunming 650091, Peoples R ChinaYunnan Univ Nationalities, Sch Math & Comp Sci, Kunming 650500, Peoples R China
Li HuiMin
Xie YueHui
论文数: 0引用数: 0
h-index: 0
机构:
Kunming Med Univ, Dept Basic Med, Teaching & Res Sect Comp, Kunming 650031, Peoples R China
Yunnan Univ, Lab Conservat & Utilizat Bioresources, Kunming 650091, Peoples R ChinaYunnan Univ Nationalities, Sch Math & Comp Sci, Kunming 650500, Peoples R China
Xie YueHui
Liu CiQuan
论文数: 0引用数: 0
h-index: 0
机构:
Yunnan Univ, Lab Conservat & Utilizat Bioresources, Kunming 650091, Peoples R China
Chinese Acad Sci, Kunming Branch, Southwest Biol Div Lab, Kunming 650223, Peoples R ChinaYunnan Univ Nationalities, Sch Math & Comp Sci, Kunming 650500, Peoples R China
Liu CiQuan
Liu ShuQun
论文数: 0引用数: 0
h-index: 0
机构:
Yunnan Univ, Lab Conservat & Utilizat Bioresources, Kunming 650091, Peoples R China
Key Lab Anim Genet Div & Evolut High Educ Yunnan, Kunming 650091, Peoples R ChinaYunnan Univ Nationalities, Sch Math & Comp Sci, Kunming 650500, Peoples R China
机构:
Yunnan Univ Nationalities, Sch Math & Comp Sci, Kunming 650500, Peoples R China
Yunnan Univ, Lab Conservat & Utilizat Bioresources, Kunming 650091, Peoples R ChinaYunnan Univ Nationalities, Sch Math & Comp Sci, Kunming 650500, Peoples R China
Li HuiMin
Xie YueHui
论文数: 0引用数: 0
h-index: 0
机构:
Kunming Med Univ, Dept Basic Med, Teaching & Res Sect Comp, Kunming 650031, Peoples R China
Yunnan Univ, Lab Conservat & Utilizat Bioresources, Kunming 650091, Peoples R ChinaYunnan Univ Nationalities, Sch Math & Comp Sci, Kunming 650500, Peoples R China
Xie YueHui
Liu CiQuan
论文数: 0引用数: 0
h-index: 0
机构:
Yunnan Univ, Lab Conservat & Utilizat Bioresources, Kunming 650091, Peoples R China
Chinese Acad Sci, Kunming Branch, Southwest Biol Div Lab, Kunming 650223, Peoples R ChinaYunnan Univ Nationalities, Sch Math & Comp Sci, Kunming 650500, Peoples R China
Liu CiQuan
Liu ShuQun
论文数: 0引用数: 0
h-index: 0
机构:
Yunnan Univ, Lab Conservat & Utilizat Bioresources, Kunming 650091, Peoples R China
Key Lab Anim Genet Div & Evolut High Educ Yunnan, Kunming 650091, Peoples R ChinaYunnan Univ Nationalities, Sch Math & Comp Sci, Kunming 650500, Peoples R China