vanderbilt medical center

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