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OCR for page 46
E
Reports from the Breakout Session Groups
A key component of the Workshop on Health and Medicine was the set of
four breakout sessions that enabled individual input by workshop participants on
the themes of the workshop: discovery, interfaces, challenges, and infrastructure.
Each breakout session was guided by a facilitator and by the expertise of the
individuals as well as the content of the plenary sessions. Each breakout group
(color-coded blue, green, red, and yellow) was asked to address the same set of
questions and provide answers to the questions, including prioritization of the
voting to determine which topics the group concluded were most important. After
every breakout session, each group reported the results of its discussion in ple-
nary session.
The committee has attempted in this report to integrate the information gath-
ered in the breakout sessions and to use it as the bases of the information con-
tained herein. When breakout groups reported votes for prioritizing their conclu-
sions, the votes are shown parenthetically in this section.
SESSION 1: DISCOVERY
What major discoveries or advances related to health and medicine have
been made in the chemical sciences during the last several decades?
Blue Group Report
Discovery and development of new pharmaceutical agents
· Protein-based drugs
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APPENDIX E
Drug discovery
Structure-guided drug design
Antibiotics
In silica chemistry
Rapid roll out of AIDS therapeutics
Drug delivery
New anticancer drugs
Effective methods for the synthesis of new pharmaceuticals
Synthetic strategy
Solid-phase synthesis
Synthetic methods
· Catalysis in synthesis (organometallic)
· Chiral catalysts
Enzymes and bioprocessing
Catalytic antibodies
· Combinatorial and parallel chemistry
· Polymerase chain reaction (PCR)
Medical diagnostics for prediction, detection, and distribution of disease
Magnetic imaging
Noninvasive imaging
Contrast imaging
Laser applications
Biosensors
Real-time analytical analysis
Diagnostics
Development of new molecular separations techniques for analysis,
identification, and processing
· Separations technology
Cellular signaling (9 votes)
Green Group Report
· Understanding signal transduction
· Intracellular sensors of biomolecules (GFP)
· Molecular probes
· Post-translational chemistry and modification
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48
Molecular medicine (7 votes)
· Molecular mechanism of disease
· New drugs (stating)
· Structure-guided rational drug design
· Controlled release (large molecule delivery)
· Bio-engineered pharmaceutical agents
Techniques and tools (7 votes)
APPENDIX E
In vivo imaging (MRI, PET)
Mass spectrometry (MALDI, TOP)
High-field and multidimensional NMR
PCR
Solving human genome (underlying technologies, DNA sequencing)
Molecular modeling and dynamics
Rapid and inexpensive diagnostics
Bioprocessing (4 votes)
· Tissue engineering (artificial skin)
· Large-scale tissue culture
· Molecular and cell separation techniques
· Metabolic networks
· Modeling biological systems
Synthetic methodologies (4 votes)
· Asymmetric synthesis
· Chemoenzymatic synthesis
· Templated synthesis
· Oligosaccharide chemistry
Combinatorial methods (2 votes)
· Molecular synthesis
· High-throughput crystallization
· Protein engineering
· Nucleic acid engineering
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APPENDIX E
Synthetic techniques (9 votes)
Red Group Report
· Ability to synthesize and manufacture complex molecules
· Development of catalysts for chiral synthesis
· Solid-phase synthesis
· High-throughput synthesis and analysis
· Combinatorial chemistry
Imaging modalities (6 votes)
.
Monitoring of single molecules
Single molecule imaging
· Development of MRI
· Engineered proteins for fluorescent signaling
Use of lasers in medicine, surgery, imaging
Spectroscopy (6 votes)
· Advances in mass spectroscopy
· NMR
Drug development (5 votes)
· Development of statins
· HIV therapy
Computational chemistry (4 votes)
· Development of computer-aided experimentation
· Development of structure-based drug design
Molecular amplification (4 votes)
· Recombinant DNA technology
· PCR
Analytical tools (13 votes)
· NMR
· X-ray
49
Yellow Group Report
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so
Mass spectrometry
HPLC
PCR
DNA sequencing
Micro array s
Recombinant DNA
SAMS
Clinical diagnosis
New therapies (11 votes)
· Natural products discovery
· Chemistry of enzyme active site
Rational drug design
Protease inhibitors
Cardiovascular drugs
Cancer therapies
Chemistry of the cell (9 votes)
RNA catalysis
Signal transduction
Natural product mechanisms
Gases (e.g., O2, NO)
Metal ions
Noncovalent interactions
Focus on function and structure
Synthetic methods (7 votes)
· Selective chemical reactions
· Asymmetric synthesis and catalysis
· Synthesis on solid support
· Combinatorial chemistry
Biomaterials (2 votes)
Synthetic membranes
Biocompatible materials
Controlled drug release
Tissue engineering, use of
Plastics
Disposable
APPENDIX E
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APPENDIX E
51
SESSION 2: INTERFACES
What are the major biomedical discoveries and challenges at the interfaces
between chemistry and chemical engineering and other disciplines, including bi-
ology, information science, materials science, and physics?
Blue Group Report
Material science (8 votes)
Micro and nano fabrication
Biofunctional"smart" materials
Drug delivery systems
Oral delivery
Drug formulation
Conductive polymers (nerve regeneration)
Cell biology (7.5 votes)
· Homogeneous glycoprotein manufacturing
· Understanding cell surface
· New chemical types (natural products)
· Proteomics and metabolomics
Genotype and phenotype correlations
Understanding neural pathways
Information science, computer science, and mathematics (6 votes)
· Cellular modeling
· Personalized medicine (genomics)
· Dynamic theory for multiscale modeling
· Proteomics and metabolomics
· Genotype and phenotype correlations
Physics (4 votes)
· Imaging
· Single molecule studies
· Optical manipulation (tweezers)
· In vivo diagnostics
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52
Medicine (3 votes)
· Problem of drug resistance
Agriculture (2.5 votes)
Therapeutic proteins by transgenic plants and animals
· Improving agricultural production (feed the world)
· New chemical types (natural product discovery)
Immunology (2 votes)
· New bioprocessing techniques (transgenics)
· New vaccines
Green Group Report
Cultural barriers at the interfaces (5 votes)
· Process versus discovery versus hypothesis-driven research
· Challenge: Chemists as part of a team
· Common standards for biological data
· Mechanism versus function or property
Translational medicine (3 votes)
· Economic challenges (government reimbursement versus profit)
· Bioorganic synthesis-basic science versus clinicians
· Benefit: Clinicians can define the issue and point to technology needed
APPENDIX E
Chemists make things (1 vote)
· Natural products with unnatural function
· Manipulation of biomolecules
Training students (1 vote)
· Challenge: Education of the other sciences about what chemistry does
· Undergraduate education
· Tension between broad and deep
OCR for page 53
APPENDIX E
Diagnostics (12 votes)
.
Red Group Report
Early detection of cancer
Personalized medicine
Health sensors
Near real-time diagnostics in a primary care setting
Biosignatures
Predictive mass spectometry
Non-invasive sensor development
Environmental and biohazard sensing
Medical delivery and medical ethics
Macromolecular complexes (8 votes)
· Small molecule control of macromolecular interactions
· Dynamic (time resolved) measurements at the molecular level
· Metal ion transport and bioaccumulation
Computational and systems models (7 votes)
53
· Computational chemistry and structure-based drug design
· Greater use of artificial intelligence and pattern recognition in diagnostics
ganism)
Better predictive models
Systems level modeling through computation (e.g., molecular up to or-
ImDroved drug formulation and delivery (5 votes)
, c:,
Implants and regenerative medicine (5 votes)
Optimal development of cultural interfaces without loss of specialist
training (4 votes)
· Ways to foster communication, collaboration, interdisciplinary research
Yellow Group Report
New instrumentation, miniaturization, and sensors (10 votes)
· Mechanical engineering
· Electrical engineering
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54
APPENDIX E
· Materials science
· Physics
Computation: Structure-function modeling and bioinformatics (disconnect
with language, storage, retrieval, standardization) (8 votes)
· Computer science
· Mathematics
Modeling: Noncovalent interactions; Pharmacokinetic properties (6 votes)
.
Computer science
· Mathematics
· Pharmacology
· Physics
Global molecular analysis: Metabolomics, proteomics (4 votes)
Computer science
Systems engineering
Electrical engineering
Single-cell analysis (3 votes)
Mechanical engineering
Electrical engineering
Physics
Single-molecule experimentation (3 votes)
· Mechanical engineering
· Electrical engineering
· Physics
Agricultural science: Safe new crops, pest-resistance (2 votes)
· Veterinary medicine
· Entomology
· Botany
· Agronomy
· Environmental science
Defining Protein Function (1 vote)
· Cell biology
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APPENDIX E
· Enzymology
Cell differentiation (1 vote)
· Physics
· Biomaterials
· Electrical engineering
Noninvasive imaging (1 ~rote)
· Physics
E. .
· nglneenog
· Clinicians
· Nuclear science
SESSION 3: CHALLENGES
What are the biomedical challenges in the chemical sciences and engineer-
Ing ~
New therapies (7 votes)
Blue Group Report
Viral therapies, known and unknown
Cancer therapies
Gene therapy
Personalized medicine
Genomic diagnostics
Reactive sensors
Exploitation of the human genome (6 votes)
· Connection of genomics with proteomics
· Protein folding
· Predictive protein and protein interaction
· "PCR" for proteins
Interface systems biology with drug discovery (5 votes)
Systems physiology
Tools for handling complexity in biological systems
Intelligent drug delivery, monitoring, and feedback
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56
· Seamless electronic tissue interfaces
Predictive ADMET (4 votes)
· Predictive biopharmaceutics
· Target selective delivery systems
· Target selective pharmaceuticals
· Green chemistry (3 votes)
· Selective transformations
Regenerative medicine (3 votes)
· Engineering functional living tissue models
· In vivo tissue regeneration
· Development of universal or immune-tolerant cell sources
· Aging
Understanding cognition (3 votes)
· Neurodegenerative diseases
· Depression, psychoses
· New mechanisms for pain control
Green Group Report
Controlled drug delivery to the site of action (5 votes)
Pure air and water for the world (5 votes)
In viva imaging of molecular events at 1-100 nm scale (4 votes)
Develop effective antivirals (3 votes)
APPENDIX E
Robust, cheap, and reliable genetic testing for disease predisposition (3
votes)
Molecular-level model of cell with predictive capability (3 votes)
Early detection of disease (3 votes)
Molecular machines for biomedical applications (2 votes)
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APPENDIX E
Programmable cell-based synthesis of organic molecules (2 votes)
Understand brain chemistry (e.g., consciousness) (1 vote)
57
Couple informatics with discovery-based R & D for molecular medicine (1
vote)
Red Group Report
Curing disease (10 votes)
· Host and microflora interactions: Relationship to chronic disease
· Curing viral diseases
· Prevention and cure of degenerative diseases
· Gene therapy: Making it work
· Smart nanoscale materials: Trigger delivery
· Functional cell surface modification
· Example: Drug targeting
Higher understanding of noncovalent interactions (7 votes)
· 3D Macromolecular folding and assembly
· Understanding the Ribosome
· Understanding principles of protein folding
· Membrane-bound protein structure and mechanism
Chemistry of life processes (6 votes)
· Whole cell model
· Synthetic cell
· Artificial life creation
· Understanding origin of life
· Using information from sequences of all organisms
Harnessing the immune system (5 votes)
· Harnessing of immune system to provide next generation of therapies
· Immunologically reactive structures database
· Predict immunoreactivity
· Biocompatibility of materials
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58
Understanding brain processes (5 votes)
· Memory
· Learning
· Aging
Outreach (4 votes)
· Resource allocation
· Chemical literacy for all
· Global accessibility to medicine
· Low cost, abundant
· Increased agricultural productivity
Human surrogates for pharmaceutical testing (2 votes)
· Engineered tissue
· Computer modeling
· Understanding mechanism of differentiation and development
Yellow Group Report
Disease cures (12 votes)
APPENDIX E
· Viral, universal antibiotic, cancer, aging (prior, AD) cancer, memory
· Regulation of body parts
Genomics, proteomics, metabolomics (7 votes)
· Enhanced health, personalized medicine (prediction and prevention)
· Predict three dimensional structure from sequence
· Prediction of cellular function
Chemical basis of: (5 votes)
· Thought and memory
· Addition
· Immune system
Optimize chemical tools (4 votes)
· Ligands for every protein
· Ideal one-step, 100 percent synthesis
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APPENDIX E
Livable environment (4 votes)
· Clean air, water, food
· Population balance (control)
SESSION 4: INFRASTRUCTURE
59
What are the issues at the intersection of health and medicine and the chemi-
cal sciences for which there are structural challenges and opportunities in
teaching, research, equipment and instrumentation, facilities, and personnel ?
Blue Group Report
Need to evaluate funding model
· "One size does not fit all"
· Balance between single investigator and project grants
· Need more capital investment
· Better access to core facilities
Education and training
· Need 21st century undergraduate curriculum
· Breadth and depth; need to assure talent pipeline (recruitment, diversity)
· How to deal with evolving department structures
· Need early lab experience
· Interdisciplinary culture needs to be supported
Need to address ethical issues
Regulatory issues for personalized medicine
Better public perception of chemistry and better "marketing"
Green/Red Group Report
Working well
· Radioisotope facilities
· Entrepreneurship from investigation
· Students entering the workforce are high quality
· Some large scale facilities
PNNL protein fragment database, CAMS (Livermore)
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Not working well
· Data mining: Management and sharing
· Academic core facilities support
· National and core facilities staffing
· Reward and mechanisms and collaborative research
· High-school outreach
Needs
APPENDIX E
· High-throughput screening facilities
· Nanofabrication facility
· Online exposure to the chemical literature for high-school and small-col-
lege students
· National forums
More crossdiscipline forums
Increased input from industry and younger scientists
.
Education
Graduate courses outside field of specialization
Structure for a generalist
Support for web-based courseware
Possible Solutions
Education
Build laboratory rotation into Ph.D.
—Support for industrial and government internships
Facilities
Grant surcharge for facilities support
Central repository of instrument parts
Yellow Group Report
Information exchange (7 votes)
· Realization of the need to collaborate
· Positive academia and industry interactions (spin offs)
· Intellectual property issues
- Industry and university
University and university (MTA)
—University, industry, and government
· Increase recognition of collaborations
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APPENDIX E
Teaching (6 votes)
· Breadth and depth
· Emphasis of relevance of chemistry to human health
· Improved undergraduate chemical education
Better laboratory course
- Incorporate biochemistry in curriculum earlier
—Promote undergraduate research
· Continued increase in funding for science education
Outreach (5 votes)
· Promotion of chemical science to the general public
· More involvement to improve K-12 science education
Equipment and facilities (4 votes)
More access to state of the art instrumentation
Effective maintenance and access to shared facilities
—Remote access
Hands-on access to large-scale facilities
Research (1 vote)
61
· Increase funding mechanisms to encourage discovery-based research to
complement hypothesis-driven research
· Enhanced postdoctoral fellowships
—Independent of grants
- Broader distribution to promote diversity
Information and data (1 vote)
Better search capabilities
Needs to be standardized
Quality control of information
Needs to be standardized
· Pooling of information
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Representative terms from entire chapter:
personalized medicine
