Mathematical Modeling Service for Glycosylation Pathway

Mathematical Modeling Service for Glycosylation Pathway

Unlocking Biological Insights Through Precision Glycosylation Modeling

Glycans (carbohydrates) show a high degree of structural diversity and complexity. To apply computational tools and artificial intelligence to the study of glycans, CD BioGlyco has developed a dedicated Glycobioinformatics Platform that focuses on Glycan Synthesis, Glycan-molecule Interaction Analysis, Glycan Structure Analysis, Glycomics Research, Drug Development, and mathematical modeling. Our goal is to use computational tools to assist your glycan research, thereby promoting the understanding of glycobiological systems and accelerating the development of detection methods and treatments for glycan-related diseases.

Glycans are involved in biological processes such as cell recognition and signal transduction in various organisms in health and disease. To deeply study the biosynthesis and signal transduction process of glycans, scientists have developed mathematical models to gain an in-depth understanding of complex enzymatic reactions and in situ interactions. CD BioGlyco uses computer methods to build various types of glycosylation models for clients to predict and simulate glycosylation pathways. The digital model services we provide include but are not limited to:

N-linked Glycosylation Pathway

N-glycosylation is the attachment of glycans to the nitrogen atom of the asparagine side chain in proteins. We help our clients build digital models to simulate the enzymatic reactions in the endoplasmic reticulum (ER) and Golgi apparatus during the formation of N-glycoproteins.

O-linked Glycosylation Pathway

O-glycosylation is the transfer of sugar chains to the oxygen atom of the hydroxyl group of serine, threonine, or hydroxylysine in the polypeptide chain. This digital model mainly simulates the enzymatic process of O-linked glycoproteins in the Golgi apparatus.

Glycosaminoglycan (GAG) Biosynthesis Pathway

This pathway mainly involves the synthesis of GAG such as heparan sulfate and chondroitin sulfate, which are essential for cell signaling and structural integrity. We help clients simulate the biosynthesis process of GAG through digital models.

Glycosylphosphatidylinositol (GPI) Anchors Biosynthesis Pathway

GPI anchors are glycolipids that bind proteins to cell membranes and play a key role in various cell functions and signal transduction mechanisms. We use digital models to help clients simulate, analyze, and predict the biosynthesis process of GPI anchors, to conduct related disease research, drug development, etc.

Glycosphingolipid (GSL) Biosynthesis Pathway

GSL biosynthesis is a complex and tightly regulated pathway involving multiple enzymes and biochemical processes. Our mathematical modeling of this pathway helps researchers gain a deeper understanding of the dynamics of GSL biosynthesis, identify key regulatory points, and predict how abnormal synthesis leads to disease states.

O-linked N-Acetylglucosamine (O-GlcNAc) Biosynthesis Pathway

We use mathematical models to simulate the changes in O-GlcNAcylation under different metabolic states, analyze how O-GlcNAcylation affects protein-protein interactions and signaling pathways, and develop corresponding drugs to regulate O-GlcNAc levels in diseases.

Glycosylation mathematical modeling service. (CD BioGlyco)

Publication

Technology: Mathematical modeling platform for N-glycosylation study

Journal: STAR protocols

IF: 1.3

Published: 2023

Results: Glycan synthesis is a complex biological pathway. To control and study the structure of glycans, the authors propose the Glycosylation Markov Model Evaluator (GlycoMME) toolkit. GlycoMME infers N-glycosylation biosynthetic processes from glycomic data and details procedures for predicting the impact of disease mutations or potential glycoengineering strategies in drug development. It facilitates glycobiology research by quantifying the effects of knocking out specific glycosyltransferase isozymes on the glycoprotein glycan profile.

Fig.1 GlycoMME platform for studying N-glycosylation biosynthesis.Fig.1 GlycoMME model for N-glycosylation study. (Liang, et al., 2023)

Applications

  • Mathematical models are used to understand the complex biochemical processes of glycosylation in diseases such as cancer, diabetes, and congenital glycosylation disorders to reveal the pathogenesis.
  • Mathematical models can help predict the interaction between molecules and targets, screen bioactive molecules, and provide potential candidate compounds for disease treatment.
  • Mathematical models are useful for studying abnormal glycosylation in diseases to identify potential disease biomarkers.
  • Mathematical models can be used to simulate the interaction between glycosylation and cells to study its impact on overall cell physiology and metabolism.

Advantages of Us

  • Our scientists have accumulated rich experience in building digital models and provide clients with model-building services for various glycosylation pathways, such as N-glycosylation, O-glycosylation, GAG biosynthesis pathways, etc.
  • The digital simulations we build can run quickly and explore a large number of conditions at the same time, helping clients save time and money.
  • The digital simulations we build have the advantages of easy operation and repeatability.
  • We have a strict optimization and validation process to ensure that the digital model is highly consistent with customer requirements.

Frequently Asked Questions

  • Why construct mathematical Models to study glycosylation pathways?
    The glycosylation pathway is a complex biochemical network involving multiple enzymes, substrates, and regulatory mechanisms. Mathematical models help predict enzyme levels and substrate changes during glycosylation, thereby discovering key molecules in abnormal glycosylation processes. It is used to identify potential therapeutic targets in diseases and predict the effects of drugs on abnormal glycosylation pathways, accelerating the drug development process.
  • How to construct mathematical models for glycosylation pathway research?
    First, we identify the enzymes, substrates, intermediates, and final products involved in the glycosylation pathway. Secondly, we define mathematical equations in combination with other models. Thirdly, specific parameters in glycosylation are determined and software is used to simulate the glycosylation process. Finally, the digital model is simulated and verified and the parameters are optimized.

CD BioGlyco has accumulated rich experience in mathematical modeling. By integrating these mathematical methods, we can help researchers gain a deeper understanding of the complexity and dynamics of glycosylation pathways, thereby accelerating disease research and drug development. If you are interested in our mathematical modeling services, please feel free to contact us.

Reference

  1. Liang, C.; et al. GlycoMME, a Markov modeling platform for studying N-glycosylation biosynthesis from glycomics data. STAR protocols. 2023, 4(2): 102244.
For research use only. Not intended for any diagnostic use.
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We envision a future where the intricate world of carbohydrate is no longer shrouded in mystery, but rather illuminated by the power of cutting-edge computational tools.

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