Short Courses
SC 2 The Basics of Surface Plasmon Resonance
Attend this workshop to learn how and why SPR technology has become the tool of choice for measuring molecular interactions in drug discovery and development
Topics will include:
- What is SPR?
- Why use SPR?
- What are the application areas for SPR? Choose from a growing list of applications from small molecule drug screening and mutant analysis to target characterization.
- How will SPR solve interaction measurement bottle necks? Consider low sample requirements, no labelling. increased time to results providing fail fast analysis.
- What are the other technologies available for interaction analysis and how do they compare to SPR? ITC, BLI
Instructors
Dr. Mohammed Yousef, Dr. Ruben Luo, and Dr. Shezifi, Senior R&D Application Scientists, Bio-Rad; and a special guest speaker to be announced.
SC3 Screening for Allosteric Modulators
The advancing technology of high-throughput screening is changing the type of molecules found. With protein function more physiologically relevant, the quality of the molecules that pharmacologists and medicinal chemists must deal with is changing. This course will familiarize researchers with the tools needed to exploit this potentially fruitful area of new drug discovery through discussion of allosteric molecules, detection of allosterism, and quantifying allosterism for chemical lead optimization. The course is designed to answer these questions:
- What is protein allostery?
- What makes allosteric molecules unique and how can this contribute to unique therapeutic properties?
- How can we detect allosterism?
- How to quantify allosterism for chemical lead optimization?
Course Instructor:
Terry P. Kenakin, Ph.D., Professor, Department of Pharmacology, University of North Carolina School of Medicine
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4월 16일, 월요일 16 3:30-6:30pm
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SC1 Cheminformatics for the Medicinal Chemist
Topics will include:
- Cheminformatics for FBDD
- Lead-Like Screening Assays
- The Concept of Lead-Likeness
- Virtual Screening
- Improving Hit Quality
Instructors to be Announced
SC4 Advanced Tools and Technologies for Fragment-Based Design
This short course will cover the basic ideas behind fragment discovery, outline the major tools for discovering fragments, and provide case studies in the optimization of fragments to drug leads.
Course Instructors:
Daniel A. Erlanson, Ph.D., Co-Founder, Carmot Therapeutics, Inc.
Alex B. Burgin, Ph.D., CSO, Emerald Biotructures
SC 5 Pre-Clinical Toxicity for Chemists: New Assays, New Info
Topics include:
- Organ Toxicity Assays
- Understanding your biologist -- new demands for organ predictive toxicity, e.g. cardiac and liver -- what is available?
- At what stage in a preclincal candidate's development should toxicity assays matter? Which end points are relevant? How assays can help set benchmarks for how to proceed
- How to bridge in-vitro and in-vivo data?
- Case study based on mitochondrial toxicity, ER stress and lysosomal accumulation assays
- Tools of the trade -- exploiting chemical modifications
- If you池e a small company, how/who to outsource to ?what are the available software and vendors
Course Instructors:
James Dykens, Ph.D., CEO, EyeCyte Therapeutics
 Shuyan Lu, Principal Scientist, Investigative Toxicology, DSRD- La Jolla, Pfizer
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DINNER SHORT COURSE:
SC 6 HCV and the Host Immune System
Agenda:
- Review of HCV infection cycle and human immune response (6:45-7:30pm)
- entry, replication, propagation
- innate and adaptive immune response (short term and long term; humoral and cellular)
- resistance issues --how genotype of virus and host affect immune response (if at all)
- Targets and drug candidates for boosting immune response to HCV (7:30-8:15)
- toll receptors
- immune modulators -- old and new
- cyclophilin
- therapeutic antibodies
- vaccines ?preventive and therapeutic
- Break (8:15-8:30)
- Discussion on Replacing Interferon, Q&A (8:30-9:00)
- what will likely be the first interferon free regimen?
- what combinations to pay attention to?
Instructors:
 Arthur Y. Kim, M.D., Assistant Professor, Medicine, Harvard Medical School and Division of Infectious Diseases, Massachusetts General Hospital
 Stuart C. Ray, M.D., Professor of Medicine and Oncology; Director, Infectious Diseases; Johns Hopkins University School of Medicine
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INTERACTIVE BREAKOUT DISCUSSION GROUPS
Part of the main meeting, this interactive session invites audience members to choose a breakout topic of interest (listed below) and join the moderated discussion at hand. Participants are encouraged to share examples from their work, vet ideas with peers and ask questions of them. This discussion is a relaxed, informal exchange amongst scientists and is not meant to be, in any way, a corporate or specific product discussion.
Wednesday, April 18
7:45 am Breakfast Breakout Discussions:
The Challenge of Antibacterial Drug Development
Topic 1: Targeting Gram-Negative Pathogens
Moderator: Ian Critchley, Ph.D., Vice President, Microbiology, Cerexa, Inc.
Topic 2: Structure-Assisted Lead Optimization
Jim Palmer, Ph.D., Director, Drug Discovery, Research, Biota Holdings, Ltd.
?Tackling non-target related resistance mechanisms such as bacterial efflux pumps: how can structural biology help?
?How can we translate "This is nice technology to have" into "Here's a preclinical candidate" better?
Fragment Based Drug Discovery
Topic 1: Integrating Fragments with Medicinal Chemistry
Moderator: Rod Hubbard, Ph.D., Vernalis
There has been growing excitement about the opportunities provided by fragment-based discovery. In talking to various companies, some are still working out how to do fragment based discovery, but others who have invested in the technology are realising they are failing to have much impact. Talking to this latter group, it has usually been some aspect of the way in which they are organised that is the problem ?for example, the entrenched culture of either the HTS team or conventional medicinal chemistry has blocked the effective takeup of the information from the fragment hits into the optimisation processes. This session will debate solutions to these issues.
Topic 2: You've Found a Fragment, Now What?
Moderator: Daniel Erlanson, Ph.D., Co-Founder, Carmot Therapeutics, Inc.
?How much structural information is needed to advance fragments? Can fragments be advanced without knowing the structure of the co-complex?
?Once fragments are identified, how can they be further elaborated ?growing, merging, linking, library design, other?
Topic 3: Everything Else "Erlanson" and "Hubbard" Aren稚 Talking About
Moderator: Edward Zartler, Ph.D., President & CSO, Quantum Tessera Consulting, LLC and ZoBio
? Are there new technologies for FBDD screening/characterization we should be talking about (e.g. Optical waveguides?)? Should we revisit old ones (i.e. why isn't MS more widely used?)?
? Library Design for the next generation of 典OUGHㆍtargets. Is one FBDD library enough, or should we be picking our fragments based upon the target?
? How much characterization is too much? Should you put all your fragments through ADME screens, like caco-2?
? Everything else...
Anti-Inflammatories: Small Molecule Approaches
Topic 1: Animal Models for Chronic Inflammation
Moderator: John Robinson, Ph.D., Senior Scientist, Array Biopharma
Which models best predict clinical efficacy?
Therapeutic Index: predicting and projecting liability into humans?
Rodent vs. man: issues of preclinical studies
Topic 2: Inhibitng Kinases through Allosteric Modulation
Moderator: Rajinder Singh, Ph.D., Vice President, Medicinal Chemistry, Rigel Pharmaceuticals
Different approaches for modulating kinases (Type 1 vs Type 2 vs Allosteric vs Covalent)
Discovering kinase allosteric modulators -- what is the current state-of-the-art?
Cell-based assays for examining and ascertaining inhibitor's mode of activity
Best methods for assessing kinase selectivity
Topic 3: Imaging Inflammation
Moderator: Martin Braddock, Ph.D., Senior Principal Scientist,Global Project Leadership,Development,AstraZeneca R&D
- Designing new probes
- New technologies
- High content analysis and other new applications for studying inflammatory pathways
5:20 pm EVENING BREAKOUT DISCUSSIONS (Day 1 of 2nd half of Drug Discovery Chemistry event)
HCV Drug Discovery: Targeting Viral and Host Proteins
Topic 1: What will be the 選dealㆍHCV Regimen?
Moderator: Kai Lin, Ph.D., Group Head, Virology, Novartis
- Bye-bye interferon?
- What about ribarvirin?
- Fitting in new classes/combinations
Topic 2: New Targets and Approaches
Moderator: Ryan Craig Schoenfeld, Ph.D., Senior Scientist, Pharma Research & Early Development, Discovery Chemistry, Hoffman-La Roche, Inc.
- Vaccines
- Micro RNA?
- Cell culture and animal models 疎dvancesㆍ/li>
Topic 3: Pan-Genotypic HCV Inhibitors/Combinations: How Long to the Market?
Moderator: Carl J. Baldick, Ph.D., Senior Research Investigator, Infectious Diseases Research and Development, Bristol-Myers Squibb
- Are nucleoside analogs alone enough?
- How do we define ?an-genotype?coverage in vitro?
- Will the HCV replication error rate make it difficult to find conserved targets?
- A unique role for targeting cellular proteins required for entry/replication?
Physicochemical Drug Properties
Topic 1: Challenges of Thermodynamic Analysis
Moderator: Ernesto Freire, Ph.D., Henry Walters Professor, Johns Hopkins University
Topic 2: Hydrophobicity in Drug Discovery: Measurement or Calculation: Which Moves Drug Discovery Forward?
Moderator: Alan P. Hill, Ph.D., Team Leder, PhysChem, Department of Analytical Chemistry, GlaxoSmithKline, Stevenage UK
- When is hydrophobicity important?
- Is calculation good enough?
- logP or LogD?
Physicochemical Drug Properties
Topic: Modeled Structures as Drug Targets
Moderator: Ilya Vakser, Ph.D., Director and Professor, Bioinformatics, University of Kansas
Docking of modeled proteins
Ligand pockets on modeled PPI interfaces
Ligand docking to modeled receptor sites
Topic: Protein-Protein Interactions: Druggability and Chemical Space
Moderator: Sandor Vajda, Ph.D., Professor,Biomedical Engineering and Chemistry, Boston University
What is common among protein-protein interaction (PPI) targets that are amenable to inhibition by small molecules? Are there different classes among such PPIs? In what areas do you expect some success first? What fraction of the known PPIs is expected to be druggable?
What are the requirements for druggability? Do they differ from those for the druggability of traditional drug targets? What types of thermodynamic, structural, or biochemical data can help to assess druggability?
What is common among inhibitors of PPIs? Do they have any specific structural or chemical characteristics? Are peptides or macrocyclic compounds potentially useful as inhibitors?
What tools can be useful for finding hits for PPI targets? Will HTS or virtual HTS campaigns play potentially important roles? Are screening libraries appropriate to perform HTS (virtual or real) of PPI targets? How to develop libraries that are potentially more useful for a specific PPI target? How to develop libraries that are potentially more useful for PPI targets in general?
What is the potential of fragment-based approaches to finding hits? What method can be used for fragment screening? Is there anything special about PPI targets in this context?
Topic: PPI - Current Challenges
Moderator: Philippe Roche, Ph.D., Senior Scientist, Cancer Research, CNRS
Druggability of protein-protein interactions
How to define chemical libraries dedicated to PPIs?
Is the Ro5 a barrier to further PPI inhibitors development?
What is the potential of PPI inhibitors to lead to marketed drugs?
