DNA-encoded library (DEL) technology is an advanced technology that creates a tool for efficient screening and analysis by combining compounds with DNA encoding. Currently, DELs have made significant progress in drug discovery and biomarker research. Chemistry-driven DEGL design leverages the power of chemistry and DNA encoding to create a comprehensive library of glycans. This approach facilitates the systematic exploration of glycan structures and their biological interactions. By encoding glycans in DNA, researchers can efficiently synthesize and analyze vast libraries, ultimately delving into glycan function and discovery with unprecedented precision. This method stands as a cutting-edge tool in glycomics, offering a pathway to novel insights and applications.
CD BioGlyco offers comprehensive DEGL Design, Construction, and Screening services, backed by advanced expertise and professional knowledge. Among them, we offer expert services in designing libraries driven by chemistry, utilizing our research on drug-like scaffolds and building blocks and novel DNA-compatible chemical reactions and synthesis schemes.
During the design process, we fully consider the physicochemical properties (PCPs) and structural diversity of the compounds, as well as the actual preparation conditions. During the design process, we used different building block selection strategies and constraints to compare different compound library design schemes. Taking two kinds of two-cycle DEGL design schemes as an example, we design the building block of the two-cycle sugar libraries as amino acids + sugar molecules containing carboxyl groups and primary amines + sugar molecules containing carboxyl groups, respectively. By comparing the differences in PCPs and chemical space coverage between these two schemes, the effects of different building block selection strategies and constraints on chemical space sampling can be evaluated. By comparing the evaluation results, we help you to custom-design +the route of DEGL construction.
DNA compatibility is also taken into account by our experts when performing library construction route design to ensure that the synthesized compounds are stable in connection with DNA barcodes and that the affinity of the compounds is not compromised. We combine the reported DNA-compatible chemistry and the construction schemes that have been used to build DEGLs and perform the structure and construction strategy design of DEGLs for you.
Technologies: DEL technology, Uniform manifold approximation and projection (UMAP) technique
Journal: Journal of Chemical Information and Modeling
Published: 2024
IF: 5.6
Results: This article discusses a building block-based approach to DEL design. The researchers analyzed the constraints of combinatorial library design, including the number of chemical cycles, bonding construction strategy, and building block class selection, to seek the ideal library design. They compared library designs for two cycles and considered PCPs and chemical space coverage under different building block selection strategies and constraints. It was found that widely available amines and acids are essential to enable extensive exploration of the chemical space. By visualizing the commonly used building block set in reduced dimensions using the UMAP technique, it is possible to demonstrate the impact of different building block selection strategies on the properties of the final output library.
Fig.1 Analysis of Fmoc-protected amino acids, primary amines, and carboxylic acid derivatives by using UMAP technologies. (Fitzgerald, et al., 2024)
CD BioGlyco offers advanced technology and a team of specialized personnel to provide comprehensive chemistry-driven DEGL design services. We hope that our expertise will contribute to your research in new drug development. If you are interested in our services, please feel free to
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Our mission is to provide comprehensive solutions for glycan research, from library design and high-throughput screening to detailed data analysis and validation.