Dynamic graph modelling for N-linked glycosylation

被引:0
|
作者
Yang D.-W. [1 ]
Wang J. [1 ]
Zhou J.-L. [1 ]
Wu H.-Y. [1 ]
Jin Q.-B. [1 ]
机构
[1] College of Information Science and Technology, Beijing University of Chemical Technology, Beijing
来源
Wang, Jing (jwang@mail.buct.edu.cn) | 2017年 / South China University of Technology卷 / 34期
基金
中国国家自然科学基金;
关键词
Dynamic reaction modeling; Glycosylation simulation platform; N-linked glycosylation; Reaction network based on graph model;
D O I
10.7641/CTA.2017.60704
中图分类号
学科分类号
摘要
Monoclonal antibody (mAb) drug is one of the most valuable types of drugs currently in the international market, and N-linked glycosylation reaction is considered as an important part of the preparation of monoclonal antibody drugs. An abstract graph modeling method is proposed to describe the entire glycosylation reaction network. This graph expression can simplify the analysis and calculation of glycosylation reaction. The dynamic mass balance equations of N-linked glycosylation reaction are also discussed which can provide more information than steady-state model and theoretical basis for real-time control of drug quality. In order to facilitate the simulation of dynamic model and to guide the experimental design, we develop a dedicated glycosylation simulation platform based on C++. Simulation platform provides dynamic calculation of glycan concentration, visualization of network structure and optimization of reaction parameters based on genetic algorithm. At last, the glycosylation reaction model is verified based on the simulation platform whose results are consistent to experiment and mechanism analysis. © 2017, Editorial Department of Control Theory & Applications South China University of Technology. All right reserved.
引用
收藏
页码:627 / 636
页数:9
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