Center Capabilities

Synthesis Format

1. Solution-phase

• Solution-phase using solid-phase reagents or scavengers
• Solid-phase
• Large scale synthesis (>10g)

 

Synthesis Capabilities

Serial

• Parallel
• Combinatorial
• Microwave
• Chiral
• Glove Box (catalyst screening - 96 well format)

 

Analysis, Purification, and Compound Management

High-throughput analytical/preparative-scale RP HPLC/photodiode array UV/HRMS

• High-throughput mass-directed preparative-scale RP HPLC/dual-wavelength UV/LRMS/ELSD
• Automated NMR (600 MHz)
• Automated sample handling (bar-coded vials) Zinsser Robot for liquid handling
• Analytical and preparative chiral HLPC
• Large scale NP and RP chromatography
• In vitro DMPK (CYPs, Protein binding, microsome and hepatocyte stability (across species), metabolite ID, functional hERG)
• In vivo DMPK (rat/mouse PK, brain/plasma studies)

 

Cheminformatics Capabilities

• Virtual compound library enumeration and screening
• In silico property calculation, including ADME, toxicology, and metabolic profiling
• Pharmacophore perception and docking
• Hit clustering and data mining
• 1D/2D/3D QSAR including COMFA, COMBINE
• Artificial neural network (virtual screening)

 

Biological/MedChem Expertise

• Analog design
• Central nervous system (GPCR, Ion Channel, Transporters)
• Oncology Antiviral Metabolic diseases
• Allosteric ligand design (PAMs, NAMs and allosteric agonists)
• Natural products chemistry
• Synthetic Methodology