In these group discussions, attendees choose a specific Zoom Room to join. Each group has a moderator to ensure focused conversations around key issues within the topic. The group format allows participants to informally meet potential collaborators,
share examples from their work and discuss ideas with peers. You will have the ability to turn on and off your camera and microphone and the session will not be recorded and NOT available On Demand.
TUESDAY, AUGUST 25, 3:45 PM EASTERN DAYLIGHT TIME ZONE
Ubiquitin-Induced Targeted Protein Degradation
Topic: New Technologies and Assays to Target the Ubiquitin-Proteasome System
Moderator: Alexander Statsyuk, PhD, Assistant Professor, Department of Pharmacological and Pharmaceutical Sciences, University of Houston
- Key ubiquitination steps for inducing protein degradation
- Biochemical, biophysical and cellular-based approaches to monitor ternary complex formation
- How to identify novel E3 ligases and E3 ligase ligands: need and challenges
- How do PROTACs and IMIDs affect the normal UPS function?
Topic: PROTAC-Based Protein Degradation: Novel Applications and Approaches
Moderator: Tauseef R. Butt PhD, President and CEO, Progenra, Inc.
- Current limitations of PROTAC approaches – application of cereblon, cIAP, VHL, HDM2 ligases as degrader molecules ligase
- Big hurdles in therapeutic potential of PROTACs – toxicity for chronic diseases; oral bioavailability; IP issues
- Expanding therapeutic potential of PROTACs – developing novel ligases for membrane, cytosol or nuclear targets
- How to overcome the above hurdles and not develop “Me Too” PROTACs
Fragment-Based Drug Discovery
Topic: Orthogonal Biophysical Techniques for FBDD
Moderator: Charles Wartchow, PhD, Senior Investigator, Novartis Institutes for Biomedical Research
- When to use what: SHG, SPR, NMR, DSF
- Combining techniques: reconciling data
- The importance of biochemical assays in biophysical screening campaigns
- Applications to finding allosteric inhibitors
Topic: Covalent Fragments
Moderator: Daniel Erlanson, PhD, Vice President, Chemistry, Frontier Medicines
- Reversible vs. irreversible covalent fragments
- How to characterize covalent fragments
- Chemistries for cysteine and beyond
Kinase Inhibitor Chemistry
Topic: The Future of Kinase Inhibitors
Moderator: Hatylas Azevedo, PhD, MBA, R&D Manager, Drug Discovery, Aché Laboratórios
- Allosteric inhibitors
- Artificial intelligence
- Different scaffolds (natural products, macrocycles, covalent inhibitors)
Macrocyclics & Constrained Peptides
Topic: Lead ID Using Macrocycle Libraries
Moderator: Adrian Whitty, PhD, Associate Professor of Chemistry, Boston University
- What properties define a good macrocycle screening hit?
- What represents good potency, and does this depend on library chemistry?
- Specialized/biased versus general purpose libraries
Topic: Technologies Driving Macrocycle Innovation
Moderator: Cameron Pye, PhD, CEO & Co-Founder, Unnatural Products
- Hit-finding strategies: DELs, mRNA display, phage, next-gen OBOC, biosynthesis. Where do they work, where do they struggle?
- Early prioritization: modeling or empirical property-based selection?
- What is missing? What technologies could rapidly enhance macrocycle discovery and development? Better modeling, more efficient synthesis, more diverse hits...?
THURSDAY, AUGUST 27, 11:00 AM EASTERN DAYLIGHT TIME ZONE
Topic: Biophysical Hit Assessment for PPI Targets
Moderator: Mary Harner, PhD, Research Investigator II, Mechanistic Biochemistry, Bristol-Myers Squibb R&D
- Molecular properties: eliminating false positive hits
- Target engagement technology selection 101: TSA, NMR, MST, SPR, other
- Improving confidence by combining technologies
- Importance of controls: reference molecules, specificity targets
- Delineating hits: mechanism of binding, binding site elucidation
Topic: Applications of 19F NMR for Ligand Discovery
William CK Pomerantz, PhD, Associate Professor, Medicinal Chemistry, University of Minnesota Twin Cities
- What types of 19F NMR experiment should I choose for a given target. E.g. Direct binding ligand-observed vs protein-observed, or competition based ligand observed
- What are the practical and technical limitations from the various methods available for fragment screening
- What drug targets are well-suited for 19F NMR screening
Artificial Intelligence for Early Drug Discovery
Topic: AI-Driven Target Discovery and Therapies
Moderator: Ruben Abagyan, PhD, Professor, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego
- Types of AI models predicting individual target activities of small molecules
- May the docking be a useful intermediate step before the AI model is applied?
- How under-characterized is the set of activities of small molecule therapeutics and drug candidates?
Topic: Trends in AI for Accelerating Drug Discovery
Moderator: Amol Jadhav, PhD, Industry Consultant, Transformational Health, Frost & Sullivan
- Current trends for the application of AI towards preclinical drug discovery, status and challenges
- What measures should be taken to invest and apply AI at various stages of drug development?
- Industry-Academia partnerships, shared experience from startups, academia and impact assessment
Small Molecules for Immunology & Oncology
Topic: Modulating STING
Moderator: Gottfried Schroeder, PhD, Senior Scientist, Department of Quantitative Biosciences, Merck Research Labs Boston
- Distinct structural features of STING to design modulators against
- Biologics vs. small molecule approaches for modulating STING
- MOA and physiological considerations, possible side effects, etc.
Encoded Libraries for Small Molecule Discovery
Topic: DNA-Encoded Library Technology
Moderator: Brian Paegel, PhD, Professor, Department of Chemistry, University of California, Irvine
- DNA-compatible reaction development
- Scaffold design
- Screening strategies
Topic: Future Developments in DEL Technology
Moderator: Joerg Scheuermann, PhD, Senior Lecturer, Chemistry & Applied Biosciences, ETH Zurich
- How best to speed-up hit validation
- Ways to quickly identify false positives
- Single or multiple display of ligands