Lead Discovery
Once a target protein, which is implicated in a disease, has been identified and validated, compound screening is conducted to assess how small molecules interact with that particular target protein. This interaction may involve either activation or inhibition of the target protein, a critical process for lead identification in drug discovery. Compound screening enables researchers to discover potential drug candidates that can modulate the target protein's activity, providing a foundation for further drug development and therapeutic intervention.
Overview
High-Throughput Screening (HTS)
To accelerate lead discovery, and thereby the rate of drug discovery, rapid and efficient screening technologies are essential. High-throughput screening (HTS) leverages automation and robotics for the quick analysis of large chemical compound libraries to ultimately detect compounds most suitable to pursue as drug candidates.
DNA-Encoded Library (DEL) Screening
DNA-encoded library (DEL) screening allows for mass conjugation of small molecule chemical compounds to short DNA fragments, so that a greater number of molecules can be examined for the desired activity and function simultaneously.
Structure-Based Drug Design Screening
In structure-based drug design screening, 3D structures of compounds are predicted using in silico techniques where entire libraries are docked into binding sites and the steric and electrostatic affinity between the compounds and target protein are evaluated. The highest-ranked compounds then progress to biological testing.
Hit-to-Lead (H2L) Research
Hit-to-lead (H2L) research evaluates the pharmacodynamic, physiochemical, and pharmacokinetic properties of hits to identify lead compounds for lead optimization and further analysis as potential candidates for drug development.