Glycans, as important biomolecules in living organisms, are involved in intercellular recognition, immune responses, pathogen infections, and many other biological processes. However, the complex and highly diverse structures of glycans make their study challenging. DNA coding technology allows each glycocompound to be labeled with a specific DNA sequence, and this labeling not only provides an efficient method for compound identification and tracking but also makes it possible to perform large-scale screening in a single experiment. Our combination of biologically-driven design concepts allows us to customize compound libraries according to specific biological targets, thereby increasing the relevance and efficiency of screening.
CD BioGlyco has a wealth of experience in delivering expert DEGL Design Services to our clients. We provide thorough DEGL design services from various angles tailored to your specific requirements, encompassing a range of options such as Chemistry-driven DEGL Design, biology-driven DEGL design, and Artificial Intelligence (AI)-based DEGL Design. The details of the biology-driven DEGL designs service at CD BioGlyco are as follows.
To begin with, our experts engage in thorough communication with you to determine the specific biological target for study and analyze its structure according to your requirements.
We design DEGL based on detailed structural information of the biology target, utilizing 3D structural data to identify and localize potential binding sites. Building blocks containing specific functional groups or chemical moieties that bind well to the target are screened based on these sites. Advanced drug design software is used for validation to ensure that the building blocks screened for library construction have desirable binding properties and biological activities. The software can simulate compound interactions with the target and computationally predict their binding affinity and stability.
Technologies: DNA-encoded libraries (DELs)
Journal: Journal of Chemical Information and Modeling
Published: 2023
IF: 4.956
Results: This article focuses on how selection data from DELs can be analyzed to predict the ability of untested building blocks to bind to target substances. The article describes a method of analysis based on the construct level to determine whether compounds bind to the target substance through interpretive analysis of individual constructs and quantification of interactions between constructs. Also, the article utilizes similarity scoring methods to predict the productivity of new building blocks and compares the capabilities of different similarity metrics. Finally, the article develops a model that combines the behavior of the building blocks at each position to statistically predict the probability of an untested molecule binding to the target substance. The article also mentions that while the results of the study are based on specific DELs and target substances, this informatics workflow can be extended to analyze the results of other DEL studies.
Fig.1 The number of compatible potential partners varies based on the binding probability for each building block. (Zhang, et al., 2023)
CD BioGlyco's biology-driven DEGL design services offer specialized guidance from a comprehensive perspective and are utilized by clients globally. We have full confidence that our experts will significantly contribute to the advancement of your research. Please feel free to
if you are interested in our service!References
Our mission is to provide comprehensive solutions for glycan research, from library design and high-throughput screening to detailed data analysis and validation.