DNA-encoded Library Design

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