Malcolm Mcgregor Email & Phone Number

Menlo Park, CA, US

Synfini Inc. is a spinout from SRI International into a startup company to commercialize the Synfini project (see below).

Menlo Park, CA, US

• A key member of the Synfini project: the development of a combined hardware and software platform for automated chemical synthesis, designed around a Design-Make-Test-Analyze (DMTA) paradigm for drug discovery.Led both.
• Molecular modeling and machine learning for drug discovery targets, including projects with large pharma customers.
• Targets included kinases, proteases, GPCRs and disruption of protein:protein interactions.
• This is the Design and Analyze parts of the DMTA cycle.A key member of the design team for the Synfini software platform:
• Helped define the data flow through the DMTA drug discovery cycle.
• Designed, built and managed chemical applications and databases.

San Jose, CA, US

Part of the Informatics Group responsible for capturing and storing high volumes of data from materials deposition and metrology tools used in the semiconductor industry, and developing web-based applications to access and analyze the data, according to the ETL (extract, transform, load) paradigm.

San Diego, CA, US

• Contract position based full-time at CV Therapeutics, Palo Alto, 2007-2009:
• Handled chemical informatics and computational chemistry roles in drug discovery projects, mainly in the areas of ion channels and adenosine receptors.
• Molecular modeling of Nav1.5 sodium channel and drug design that produced nM inhibitor.
• Built and maintained databases of chemical and biological data in cardiovascular therapeutic target areas.

Boston, Massachusetts, US

• Led the molecular modeling and computational chemistry projects directed at protein kinase targets, at both the screening and hits to leads stage.
• Developed novel methodology for structure-based design of small molecule protein kinase inhibitors.
• Generated reports of predictive toxicology and predictive ADME results for lead compounds based on analysis of the MDL Toxicity database using Pipeline Pilot.

Palo Alto, California, US

• Led the Scientific IT group (3 direct reports) with responsibility for cheminformatics, software development and computational chemistry.
• Applied structure-based drug design methodologies - pharmacophore analysis, docking, QSAR - to targets in the classes of nuclear hormone receptors, proteases, GPCRs and bacterial enzymes.
• Developed novel methodology in machine learning for drug-like compounds, to address issues not covered by commercial software.

Postdoctoral Fellow

Doctor Of Philosophy (Ph.D.), Structural Biology

Master Of Science (M.Sc.), Biological Computation

Bachelor Of Science (B.Sc.), Biochemistry And Physiology

Education record