*All Times Shown in EST*

8:00 am Online Registration & Virtual Networking

8:50 am Chair’s Opening Remarks

  • Nick Shah Head of In Vitro Pharmacology, DiCE Molecules

Utilizing Next-Generation Chemical Biology Platforms for Novel Target Identification

9:00 am Application of Chemical Biology Probes and Bioorthogonal Chemistry in Drug Discovery


  • Several examples of how chemical biology probes and bioorthogonal chemistry were used for target identification and engagement, selectivity profiling (offtargets) and mechanism of action studies in drug discovery projects
  • Several different types of chemical biology probes were utilized including enzyme class-specific activity-based probes, cysteine-specific reactivity-based probes as well as target-specific clickable  covalent inhibitor and photoaffinity probes
  • These probes proved to be invaluable for assessing target engagement, identifying off-targets and expanding of knowledge of the target biology

9:30 am Covalent Inhibitor Discovery by Electrophile Fragment Screening

  • Nir London Senior Scientist, The Weizmann Institute of Science


  • Presenting an electrophilic fragment screening approach that can be applied to a wide range of targets
  • Discussing a high-throughput reactivity assay and cumulative screening data against a large panel of targets allows us to focus on recognition-based hits, and eliminate promiscuous compounds with high reactivity
  • In combination with high-throughput crystallography, this approach enabled us to find potent and selective covalent probes against several targets for which no previous probes were available

10:00 am Design of Chemical Probes for Target Discovery and Engagement


  • A photoreactive cleavable chloroalkane capture tag that can be
    attached to bioactive compounds to facilitate the enrichment of
    their respective cellular targets, for subsequent identification by mass
    spectrometry. The tag’s built-in capabilities for photo-crosslinking and
    selective enrichment simplify the workflow. Additionally, the modular
    assembly of photoreactive probes reduces synthetic chemistry efforts
  • Broad-spectrum probes comprising bioactive compounds tethered to
    a fluorophore that are devised to asses binding affinity and kinetics
    of target engagement via bioluminescence resonance energy transfer
    (BRET). Due to the high specificity of BRET, a single probe can be used to
    survey compound engagement with multiple targets that are genetically
    fused to NanoLuc luciferase – thus, reducing the need to develop a
    specific probe for each target
  • Case studies for identification and characterization of physiologically
    relevant targets for bioactive compounds, including those with low
    affinity and/or abundance as well as insoluble targets with multiple trans
    membrane domains

10:30 am Virtual Speed Networking

11:30 am Finding the Needle in the Haystack: Learnings in Integrated Lead Discovery


  • No single assay will find all of the hits, all of the time, so how does one pick the “right” assay for a new lead discovery campaign? Robust identification and characterization of chemical starting points requires well-validated and predictive biochemical, biophysical, and cellular assays
  • There are significant benefits in combining multiple screening approaches, whether concurrently or iteratively, to discover novel chemical matter modulating targets. Integrated Lead Discovery enables synergy between key hit finding approaches and allows for the detection of unexpected modes of action and serendipity
  • Vignettes of integrated lead discovery campaigns that led to chemical starting points for advanced leads and drug candidates will be shared

12:00 pm The New Age of Discovery: Harnessing Chemoproteomics for Small Molecule Drug Design


  • Proteomics is now recognized as an essential hypothesis generating tool for every stage of the drug design process
  • A suite of chemoproteomic strategies provide valuable insights into drug discovery programs
  • Cellular thermal shift assays are a compound class agnostic means of determining target engagement and selectivity

12:30 pm Lunch Break & Virtual Networking

Expanding the Druggable Proteome Through Next-Generation Screening Platforms

1:30 pm Predicting Small Molecule Tractability of Novel Targets to Prioritize and Accelerate Hit Identification Activities


  • Advances in both genome-wide screening and genome-wide analyses have enabled the identification of numerous putative therapeutically relevant targets for hit identification programs. Pursuing all of these targets in small molecule hit ID programs is neither feasible nor warranted
  • Integrating both in silico and experimental methods to rapidly predict the small molecule tractability of novel targets
  • Experimentally we utilize multiple affinity-based screening platforms, including ELT and ASMS, to quickly prioritize novel therapeutically relevant targets based on empirical data and focus small molecule hit identification efforts on those that are most likely to succeed

2:00 pm PROTEINi: A Unique Approach to Expand Druggable Space


  • Our current concept of druggable space is finite, and genetic approaches to target discovery do not operate at the level of target engagement
  • PROTEINi uses peptide ligands in phenotypic assays to identify and de-risk new targets
  • PhoreMost has deployed PROTEINi in multiple TAs, thereby establishing a drug discovery pipeline

2:30 pm Virtual Networking & Poster Session

Harnessing Next-Generation NMR & Mass Spectrometry Platforms for Effective Lead Generation & Target Deconvolution

3:30 pm A High-Throughput, Mass Spectrometry-Based Proteomics Platform for Rapid Drug Perturbation Profiling


  • Development of a high throughput and automation-compatible mass spectrometry-based proteomics workflow for rapid cellular drug perturbation profiling
  • Sharing examples on how the platform can support MoA de-convolution of chemical matter from phenotypic screens to identify novel drug targets
  • Examples on how the platform can support the identification of novel protein degrader targets

4:00 pm SAR by 19F NMR: Using Protein-Observed Fluorine NMR for Targeting Epigenetic Protein Complexes


  • Protein-observed fluorine NMR is a valuable FBLD tool for generating fragment leads for protein-protein interactions
  • 3D fragments can lead to selective inhibitors for bromodomain-containing proteins
  • Simultaneous screening of multiple proteins by protein-observed fluorine NMR has led to development of a BRD4 domain 1 selective chemical probe

4:30 pm Interactive Round Table Discussions

Our breakout roundtables will allow you to have more intimate and open discussions on some of the hottest topics and key areas of debate. Drive your own learning, crowd-source ideas and get inspired. Immerse yourself in the following discussions:

Serendipity versus rational drug design: How new chemical approaches might provide opportunities for overcoming the undruggable nature of desirable targets?

How to rapidly and successfully discover and exploit novel targets beyond oncology using current tools in the toolbox?

How to overcome the chemical, biological, and computational challenges in the development of inhibitors targeting protein-protein interactions?

5:00 pm Chair’s Closing Remarks & End of Day One