One of the fundamental steps of innovative drug research & development is the discovery of molecules that bind to a biological target of interest and exert the desired pharmaceutical effect. Library compound design for biological target screening is crucial for identification of high quality hit/lead compounds. DNA-encoded chemical library technology has emerged and matured as a powerful tool for generating an unprecedented number of novel molecules for drug discovery research. The design of DNA-encoded libraries at HitGen is considered from both chemistry-driven and biology-driven aspects, while physicochemical properties as well as empirical filters such as frequent hitters and toxophores are also applied to improve the drug likeness of library compounds.
Chemistry-driven library design
Design of DNA-encoded libraries driven by employing novel DNA-compatible chemical reactions and synthesis schemes
Design of DNA-encoded libraries driven by using novel and drug-like scaffolds and building blocks
Biology-driven library design
DNA-encoded libraries designed to cover and expand chemical spaces of drugs, drugs in clinical, bioactive molecules in preclinical stage, and privileged structures
Library design based on structural information of specific biological targets or target types
The Systematic Design of DELs at HitGen