Name, Title Institution, Department email, research web site

1

NM-MLSCN
Jeffrey B. Arterburn, PhD Professor Department
of Chemistry Biochemistry Co-leader NM-MLSCN
Chemistry Team PI, New Mexico IDeA Network of
Biomedical Research New Mexico State University
2
Chemistry Priorities

• Team Development
• Probe Development
• Hits to Structures
• Synthetic Analysis
• Generate Focused Libraries
• Define SAR
• Increase Affinity
• Provide Optimized Probe

3
Process for Achieving Priorities

• Team Development
• Coordinate with ChemDiv NM Chemists
• Involve ChemDiv as Consultants
• Integrate New Senior Med Chem Hire

4
Process for Achieving Priorities

• Hits to Probes
• Engage Informatics
• Verify Selected Structure
• Propose Pharmacophore
• Develop Synthetic Strategies
• Allocate Initiate Synthesis
• Construct Series
• First Round SAR
• Prioritize for Further Optimization

5
NM-MLSCN Chemistry Team

• Combined Effort Academic Industry
• Jeff Arterburn (NMSU)
• Lorraine Deck (UNM)
• James Herndon (NMSU)
• Alex Kornienko (NMT)
• Alex Khvat (ChemDiv)
• Alex Kiselyov (ChemDiv)
• Ilya Okun (ChemDiv)
• Robert Royer (UNM)
• David vanderJagt (UNM)
• Wei Wang (UNM)

6
Chemistry Academic Partners

• Demonstrated Synthetic Capabilities
• Broad Experience
• Cutting Edge Synthetic Methodology
• Extensive Instrumentation, Core Facilities
• Intellectual Resource Problem Solving
• Engages Student Pipeline, Increased Diversity

7
Jeffrey B. Arterburn, Professor, NM State
University Dept. Chemistry Biochem.,
jarterbu_at_nmsu.edu, http//www.chemistry.nmsu.edu/a
rterburn_new.html

• Catalysis C-C, C-O and C-N Coupling
• Receptor Targeted (RT) Probes
• RT Radionuclide Chelates
• Steroid Non-Steroidal Scaffolds
• Nucleoside Derivatives Isosteres

8
Lorraine M. Deck, Professor, Department of
Chemistry, University of New Mexico, Albuquerque,
NM 87131 LDeck_at_unm.edu

• Synthesis Halo-enol lactones in the pyrone
• and isocoumarin series
  
• Targets Serine hydrolases urokinase and
• cholesterol esterase
• Diseases
• Cardiovascular inhibition of cholesterol
• bioavailability
• Cancer inhibition of metastasis

9
James W. Herndon, Professor New Mexico State
University, Chemistryjherndon_at_nmsu.edu,
http//www.chemistry.nmsu.edu/herndon_new.html

• Organotransition Metal Chemistry
• Higher Order Cycloadditions
• Hydrophenanthrene synthesis
• Benzofuran Synthesis

10
Alexander Kornienko, Ph.D. Department of
Chemistry, New Mexico Tech akornien_at_nmt.edu,
http//infohost.nmt.edu/akornien/homepage.html

• Target Oriented Multi-Step Synthesis
• Libraries of Natural Product Analogs
• Stereochemically Complex Structures
• Carbohydrates and their Mimics

11
Robert E. Royer, Associate Professor, Department
of Biochemistry and Molecular Biology, University
of New Mexico School of Medicine, Albuquerque, NM
87131 Rroyer_at_salud.unm.edu

• Synthesis Gossypol libraries
  
• Targets Rossmann folds of dehydrogenases
• Diseases
• Breast cancer inhibition of
  17b-hydroxysteroid
• dehydrogenase (type-1)
• Malaria inhibition of parasite lactate
  dehydrogenase

12
David L. Vander Jagt, Professor, Department of
Biochemistry and Molecular Biology, University of
New Mexico School of Medicine, Albuquerque, NM
87131 DLVanderjagt_at_salud.unm.eduhttp//hsc.unm.ed
u/som/bmb/new/faculty1/david.shtml

• Synthesis Curcumin libraries
  Resveratrol libraries
• Targets transcription factors NF-kappaB AP-1
• Diseases
• Breast cancer inhibition of the
  pro-survival state
• Stroke inhibition of the pro-inflammatory
  state

13
Wei Wang, Assistant Professor University of New
Mexico, Department of Chemistrywwang_at_unm.eduhttp
//chemistry.unm.edu/profile.php?dirfaculty/wei_w
ang

• Asymmetric and combinatorial synthesis
• Solution and solid-phase synthesis
• Small molecule, peptide and peptidomimetic
  synthesis

Recent Picture
14
Chemistry Plans

• Shared Access to Hit Structures
• Informatics Guided Structural Analysis
• Proposals Synthetic Approaches
• Synthetic Assignments
• Focused Library Construction
• Progress Reports
• Open Communication
• Rapidly Identify Problems in Synthetic Design
• Engage Team in Finding Solutions
• Initiate Alternative Approaches
• Complete First Round SAR

15
Chemistry Questions/Issues

• Process for Assay Prioritization
• Correlation with Synthetic Effort
• Scale for initial SAR
• Minimum Definition of Probe
• Access to Compound Data
• Synthetic Procedures
• Compound Characterization
• Inter-MLSCN Information Sharing
• - early identification of multiple activity
• Possibility for Shared Synthetic Efforts
• Plan for Re-Screening