Versatile Hit-Finding Strategies for Successful Drug Discovery Programs
Using our internal Kinase and Orphan GPCR R&D programs, Celine and Rajan will explore three key approaches
Conventional HTS,
Fragment-based screening
Virtual screening
These techniques, augmented by Eurofins Discovery expertise, optimize the likelihood of identifying high-quality hit series for initiation of successful Hit-to-Lead programs.
0:00 Introduction
0:17 How to Approach Hit-Finding?
2:22 PIM3 Kinase our Hit-Finding Playground
3:17 Toolbox to Identify Innovative PIM3 Kinase Inhibitors
5:22 Small Molecule HTS
6:35 ADP-Glo Primary Screen
11:43 Biophysics - MST-TRIC Spectral Shift Characterization
14:06 Conclusion: A Successful Hit Finding Program
17:02 Kinase Ligand Binding Site
18:48 Testing: Virtual Screening Compound Characterization
20:49 Multi-Approach Fragment Based Screening
25:05 PIM3 Kinase Hit Identification Program - Conclusion
27:16 Combining HTS, VS, and Virtual Triage
29:54 Building Diversity with Eurofins Discovery Collection
31:38 Enhancing HTS Campaigns with Virtual Screening
33:29 GPR183-Target for Crohn's Disease and Ulcerative Colitis
35:40 Targeting GPR183 - Initial HTS approach
37:12 Targeting GPR183-Virtual screening approach
38:20 Massive Cloud-based Virtual Screening on Orion
40:53 GPR183 Ligand Based Screening/Shape Screening
41:43 Structure-Based Approach -Docking
43:36 Cryo-EM Structures of GPR183
43:56 Conclusions - GPR183 case study
44:36 Take Home Message