BREAKOUT DISCUSSIONS
In these sessions, attendees choose a specific roundtable discussion to join. Each group has a moderator to ensure focused conversations around key issues within the topic. The small group format allows participants to informally meet potential collaborators,
share examples from their work and discuss ideas with peers.
WEDNESDAY, APRIL 10, 7:30 AM
Protein-Protein Interactions
Topic: Methods to Identify PPI Modulators
Moderator: Samantha J. Allen, PhD, Principal Scientist, Screening, Janssen R&D LLC
- Biochemical, biophysical and cell-based screening approaches
- Library selection
- Understanding ligandability
Topic: Degradation-Inducing Therapeutics
Moderator: Philip Chamberlain, DPhil, Director, Structural and Chemical Biology, Celgene
- Various ‘molecular glues’ for ubiquitin-mediated protein degradation strategies: SNIPER, cereblon, PROTACS, degronomid
- Which technique to try first?
- Hurdles to their therapeutic potential
- Any stories or difficulties to share?
Topic: RNA Complexes as Drug Targets
Moderator: Hasane Ratni, PhD, Expert Scientist, Medicinal Chemistry, F. Hoffmann-La Roche, Basel, Switzerland
- Different types of RNA-based processes to target
- Screens and other approaches for RNA-targeted inhibitor discovery
- State of the field
Topic: Performing Internal Research vs. Insourcing/Outsourcing Strategies for Primary, Secondary and Safety Pharmacology
Moderators: Daniel Di Sepio, Business Line Leader, Eurofins Pharma Discovery Services
- Approaches
- Best practices
- Areas of weakness in current paradigms
Small Molecules for Cancer Immunotherapy
Topic: Use of Targeted Protein Degradation Strategies for Oncology
Moderators: Peter Ettmayer, PhD, Scientific Director, Cancer Research, Boehringer Ingelheim RCV GmbH & Co KG
Markus Queisser, PhD, Scientific Leader, Protein Degradation DPU, R&D Future Pipelines Discovery, GlaxoSmithKline
- Exploring use of PROTACs and other protein degraders for oncology treatments
- Pursuing previously undruggable protein targets
- Issues surrounding PK/PD, biotransformation and in vivo delivery
Topic: Exploring Diverse Target Classes for Cancer Immunotherapy
Moderator: David Wustrow, PhD, Vice President, Drug Discovery, FLX Bio
- Discussion on new target classes and next-generation checkpoint inhibitors
- Targeting the tumor micro-environment
- Challenges developing assays and models for target identification and validation
Topic: The Chemistry of Small Molecule Immunomodulators in the Clinic
Moderator: Murali Ramachandra, PhD, CSO, Aurigene Discovery Technologies Limited
- Single agents and combination therapies
- Challenges with potency and selectivity
- Drug delivery and formulation
Kinase Inhibitor Chemistry
Topic: Artificial Intelligence in Kinase Drug Discovery and Development
Moderator: Avner Schlessinger, PhD, Assistant Professor, Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai
- Use of AI in kinase inhibitor drug design and optimization
- Can we design kinase inhibitor with conformational selectivity?
- What is a novel kinase inhibitor and how can we expand the chemical space of kinase inhibitors?
Topic: Kinase Inhibitors and Immune Oncology
Moderator: Nicholas Kwiatkowski, PhD, Lead Scientist, Nathanael Gray Lab, Cancer Biology, Dana-Farber Cancer Institute
- Sensitizing cancers to immune cells with kinase inhibitors
- Activating the immune system with kinase inhibitors
Topic: Kinases as Tumor Suppressors – Therapies to Enhance Activity?
Moderator: Tim Baffi, Graduate Student, UC San Diego Biomedical Sciences Graduate Program, Department of Pharmacology, UCSD
- Protein Kinase C activity in cancer
- New therapeutic strategies to enhance activity
Fragment-Based Drug Discovery
Topic: Integrating Fragment, HTS and DEL Hit-Finding Approaches
Moderator: Robert D. Mazzola, PhD, Director, Chemical Research, Merck Research Labs
- Fragment screens v. HTS v. DNA-Encoded Libraries (DEL)? Or combos?
- Prosecuting hits: Use separate teams of chemists? Collect data simultaneously?
- Sharing examples/lessons learned
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: FBDD without Crystallography
Moderator: Ben Davis, PhD, Research Fellow, Biology, Vernalis Research
- Strategies for evolving fragment hits in the absence of protein-fragment x-ray structures
- Structural techniques: NMR, molecular modeling
- Chemical approaches
Topic: Emerging Technologies and Applications for Biophysics in Drug Discovery
Moderator: Delphine Collin, PhD, HarkerBio
- New technologies, including SHG, Switchsense
- Applications in lead identification
- Virtual screening combined with insight for understanding mechanism of action
Directed Evolution-Based Drug Discovery
Topic: Genetically/DNA Encoded Libraries of Macrocyclic Peptides
Moderator: Rudi Fasan, PhD, Professor, Department of Chemistry, University of Rochester
- Current and emerging strategies for generation and screening of genetically encoded macrocyclic peptides
- Applications/target classes: When to use which platform?
- Challenges and opportunities for future development
Topic: Phage Display
Moderator: Sepideh Afshar, PhD, Principal Research Scientist, Department of Protein Engineering, Eli Lilly and Company
- What is next for phage display platforms?
- Using phage display to identify peptides that cross biological barriers
- Integrating phage display with other display platforms to overcome its limitations
Topic: DNA-Encoded Library Technology
Moderator: Brian Paegel, PhD, Associate Professor, Department of Chemistry, Department of Molecular Medicine, Scripps Research
- DNA-compatible reaction development
- Scaffold design
- Screening strategies
WEDNESDAY, APRIL 10, 5:30 PM
Modulating the Ubiquitin-Proteasome System
Topic: Novel Targets for Cancer in the Proteostasis Space
Moderator: Alexander Statsyuk, PhD, Assistant Professor, Department of Pharmacological and Pharmaceutical Sciences, University of Houston
- Biological insights into the ubiquitin-proteasome system pathway
- Target validation approaches for novel proteostasis targets
- Emerging proteostasis targets
Topic: Development of Small Molecule Protein Degraders as New Therapeutic Modalities
Moderators: Michal Walczak, PhD, CSO, Captor Therapeutics
Nan Ji, PhD, Director of Chemistry, Kymera Therapeutics
Stewart Fisher, PhD, CSO, C4 Therapeutics
- Applying enzymology concepts to the optimization of targeted protein degraders
- Protein degradation beyond bi-functional degraders
Topic: Use of Targeted Protein Degradation Strategies for Oncology
Moderators: Peter Ettmayer, PhD, Scientific Director, Cancer Research, Boehringer Ingelheim RCV GmbH & Co KG
Markus Queisser, PhD, Scientific Leader, Protein Degradation DPU, R&D Future Pipelines Discovery, GlaxoSmithKline
- Exploring use of PROTACs and other protein degraders for oncology treatments
- Pursuing previously undruggable protein targets
- Issues surrounding PK/PD, biotransformation and in vivo delivery
Topic: Emerging Ubiquitin Targets and Modulators for Drug Discovery
Moderators: Tauseef Butt, PhD, CEO, Progenra
Sachdev Sidhu, PhD, Professor, Donnelly Centre and Department of Molecular Genetics, University of Toronto
Inflammation Inhibitors
Topic: Developing Kinase Inhibitors for Chronic Indications
Moderator: Andrew Fensome, PhD, Associate Research Fellow, Medicines Design, Pfizer
- Utility of kinase selectivity profiling data
- Safety assessment as an experiment rather than a progression gateway
- Integrating PK/PD to predict safety margins
Topic: Targeting Innate Immunity
Moderators: Daniel Dairaghi, PhD, Senior Research Advisor, Medicinal Chemistry, Eli Lilly & Co.
Chip Lugar, Senior Research Scientist, Discovery Chemistry Research, Eli Lilly & Co.
- Challenges targeting RORg
- Other promising targets in IL17 pathway
- Safety concerns
- Animal models
Topic: Targeting Protein-Protein Interactions in Inflammation
Moderator: Derek Cole, PhD, Senior Director, GI Medicinal Chemistry, Gastroenterology Drug Discovery Unit, Takeda Pharmaceuticals
- Promising PPI targets
- Strategies for druggability assessment of PPI targets
- Biophysical approaches for PPI screening
Macrocyclics & Constrained Peptides
Topic: Macrocyclic Lead Optimization
Moderators: Petr Jansa, PhD, Senior Research Scientist II, Medicinal Chemistry, Gilead Sciences
Vicky Steadman, PhD, Business Line Leader, Integrated Drug Discovery, Eurofins Discovery (formerly Eurofins Pharma Discovery Services)
- Challenging ADME properties
- Drug design challenges (conformational sampling of macrocycles,IMHB incorporation...)
- Advances in macrocyclization strategies
- Natural products as starting points
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: Modelling or empirical property-based selection?
- What is missing? What technologies could rapidly enhance macrocycle discovery and development? Better modelling, more efficient synthesis, more diverse hits...?
GPCRs & Membrane Proteins
Topic: Hit-Finding and Medicinal Chemistry Strategies for GPCRs
Moderator: Dean G. Brown, PhD, Director, External Chemistry, Hit Discovery, Discovery Sciences, IMED Biotech Unit, AstraZeneca
- Cell-based screens, affinity-based screens (DEL, fragments, others) to drive hit-finding
- HTS evaluation and lead generation on GPCRs
- Integrating results from orthogonal approaches
- Medicinal chemistry challenges for GPCRs
Topic: Opioid Alternatives and GPCRs
Moderator: Susruta Majumdar, PhD, Associate Professor of Pharmacology, Center for Clinical Pharmacology, St. Louis College of Pharmacy/Washington University
- Impact of new structural GPCR insights on drug design for pain indications
- Which biased ligands for opioid receptors are showing the most promise?
- Best ways to find opioid alternatives
Topic: New Drug Discovery-Related Technologies for Complex Membrane Proteins
Moderator: Matthew Eddy, PhD, Assistant Professor, Chemistry, University of Florida
- XFEL and other crystallography advances
- NMR applications for drug screening
- cryoEM: current applications and future directions