- Molecular modeler in ligand-based and structure-based design, including structural bioinformatics.
- Provide scientific content for the protein folding and 3D drug design modules.
- Establish criteria for compounds through CADD/NMR (Computer-Aided Design and Drafting/Nuclear Magnetic Resonance Spectroscopy).
- Pharmacophore modeling for muscarinic agonists that was developed through phase II clinical trials.
Independent Consultant, Molecular Modeling, 2006 - Present
MESA Analytics and Computing, Santa Fe, NM, Contributing Consultant
- Identified, evaluated, and recommended examples, and provided scientific content for the protein folding and 3D drug design modules in MESA's Cheminformatics virtual classroom project.
Pfizer Inc., (Warner-Lambert/Parke-Davis), Ann Arbor, MI, 1984 - 2005
Senior Research Associate and Associate Research Fellow, 1993 - 2005
- Therapeutic project support using ligand-based, structure-based, and cheminformatics approaches; early project assessment using structural bioinformatics analyses; incorporate crystallographic, biochemical, and thermodynamic data in project support; supervise interns and a postdoctoral fellow.
- Demonstrated a relationship between in vitro and in vivo assay data that provided the basis for the mechanistic rationale in the Lyrica NDA.
- Led a CADD/NMR (Computer-Aided Design and Drafting/Nuclear Magnetic Resonance Spectroscopy) collaboration that established criteria for including compounds in an NMR screening library and that developed strategies for following up fragment hits.
- Established guidelines for CADD support of GPCR(G Protein-Coupled Receptors) projects to appropriately allocate CADD resources with shared expectations with the project team.
- Inventoried methods used by Ann Arbor CADD that provided a reference for CADD members and a context for objectively assessing needs and redundancies.
- Led a team to develop a set of CADD demonstrations that are used to represent the research effort to visiting students, community leaders, and teachers.
- For a CNS project, provided a sound structural rationale for the observed metabolic stability of a chemical series, allowing a lead compound to be declared.
- Developed scripts for in Sybyl/Unity to perform scaffold hopping in the context of binding-site structure.
- Performed structural bioinformatics analyses that significantly improved the early strategy of novel enzyme targets.
- Applied series design techniques to the design of combinatorial arrays that resulted in active compounds.
Research Associate, 1990 - 1993
- Therapeutic project support using primarily ligand-based methods; database design and construction.
- Prepared expense justification for MACCS-3D, (Molecular ACCess System) designed and generated the 3-D structures for the corporate MACCS-3D database.
Senior Scientist, 1986 - 1990
- Therapeutic project support using primarily ligand-based methods; database design and construction; supervised contractors in scientific programming.
- Derived a pharmacophore model for muscarinic agonists that led to a novel core structure for CI-1017, which was developed through phase II clinical trials.
Scientist, 1984 - 1986
- Therapeutic project support using primarily ligand-based methods; supervised contractors in scientific programming.
- Identified the chemical series leading to clinical candidate CI-979.
Honors & Publications
- Professional Grant Writing Workshop; The Grant Institute, Institute for Communication Improvement.
- Working in a wide range of molecular modeling software: Sybyl/Unity, SAS, GASP, GRID, GOLD, Rachel, Jaguar, Spartan, Catalyst, MOE, Biopendium, ClustalW/X, Look, Metasite, Quest; Extensive experience with Unix/Linux C-shell/awk/sed, PERL, SYBYL/UNITY, SAS scripting; Programming in FORTRAN, C.
Academic and Professional Affiliations
- American Association for the Advancement of Science
- American Chemical Society
- Alpha Chi Sigma Professional Chemistry Fraternity
- Sigma Xi Research Society
- Graduate Assistant, Dale Carnegie Course
- Professional Volunteer Corps; Membership Chair
Publications and Patents
- Author and Co-Author of publications in peer reviewed journals; Drug Discovery, Bioorganic & Medicinal Chemistry, and Journal of Medicinal Chemistry.
- Invited Speaker
- 3 patents pending
- 5 U.S. patents issued
- Ph.D. Chemistry, University of California, Berkeley, CA
- B.S. Chemistry, University of New Hampshire, Durham, NH