Modern Structure-based Drug Discovery (SBDD) is a core component of the Target-to-Hit platform at WuXi AppTec HitS. A tailored screening approach is preferred, employing a potential combination of fragment or DNA-encoded library screening. X-ray crystallography is also an important tool for target identification and validation, target evaluation (ligandability/druggability assessment), hit identification (e.g. fragment screening), and acceleration of the latter medicinal chemistry hit-to-lead process. NMR and Cryo-EM allow for structure determination of the samples that are unamenable to crystallization. Closely interwoven with a state-of-the art biophysical platform (as illustrated by a case study employing STING), SBDD enables shorter timelines for target-to-hit and hit-to-lead campaigns.

Who should attend

• Academics interested in fragment screening, structure-based drug discovery and biophysics.
• Industry scientist interested in expanding the tool box of target-to-hit processes.

What will be learned

• Advantages and limitations of fragment-based and structure-based drug discovery
• The importance of protein quality and protein construct for the successful screening campaigns
• Advantages and limitations of biophysical approaches (e.g., SPR, MST, TRIC/Dianthus, nanoDSF, ITC).