PRE-CONFERENCE WORKSHOP I MARCH 25, 2025

Synopsis

This workshop delves into the forefront of biophysics-driven drug discovery, exploring a comprehensive suite of techniques vital for modern drug development. We will cover Surface Plasmon Resonance (SPR) for kinetic analysis, high-throughput screening (HTS) and fragment-based drug discovery (FBDD) for hit identification, and screening through Structure-Activity Relationship (SAR) optimization. We will also examine affinity selection by mass spectrometry (ASMS), DNA-encoded libraries (DELs), nano-differential scanning fluorimetry (nanoDSF), and microscale thermophoresis (MST) for detailed binding studies. Furthermore, we will explore the power of computational approaches, nuclear magnetic resonance (NMR) spectroscopy, and single-molecule techniques in characterizing drug-target interactions. Finally, we will address the growing importance of covalent modalities in drug design. This workshop unites leading experts from academia and industry to showcase the latest advancements and applications in identifying novel drug targets, characterizing drug-target interactions, and optimizing lead compounds.

HTS Technologies and Strategies: Understand high-throughput screening (HTS)

technologies, miniaturization, automation, data analysis, and interpretation for drug

discovery.

• Fragment-Based Drug Discovery: Explore fragment-based drug discovery principles, hit-to-lead approaches, computational methods, and their applications in drug development.
• Biophysical Techniques for HTS and FBDD: Integrate biophysical techniques for HTS and fragment-based drug discovery, including label-free and fluorescence-based assays, thermodynamic and kinetic analysis.
• Molecular Dynamics with NMR: Utilize solution and solid-state NMR spectroscopy for studying protein dynamics, relaxation, HDX measurements, and NMR-based drug screening.
• Single-Molecule Fluorescence Spectroscopy: Explore the potential of singlemolecule fluorescence spectroscopy, including FRET and single-molecule tracking, for studying cellular dynamics, drug binding sites, allosteric effects, drug uptake, distribution, and protein-protein interactions.
• Single-Molecule Force Spectroscopy: Investigate the use of single-molecule force spectroscopy, particularly AFM and Optical Tweezers, for identifying drug binding sites, characterizing drug-target interactions, and studying kinetics and thermodynamics of drug binding.