NIH Molecular Libraries Probe Production Centers Network (MLPCN)

Capabilities

Synthesis Formats
  • Solution-phase
  • Solution-phase using solid-phase reagents or scavengers
  • Solid-phase
Synthesis Capabilities
  • Serial
  • Parallel
  • Combinatorial
  • Microwave
Analysis, Purification and Compound Management Capabilities
  • High-throughput analytical-scale RP HPLC/photodiode array UV/HRMS
  • High-throughput mass-directed preparative-scale RP HPLC/dual-wavelength UV/LRMS/ELSD
  • Medium-throughput, automated, 5mm tube-based 1H and 13C NMR
  • Compound formatting available in a variety of formats (vials, plates) and solvents
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
Center-Driven Project Capabilities
  • Target identification and localization using affinity labeling of probe compounds
  • Yeast three-hybrid systems as tools for identification of protein targets of probe compounds
Biological/Medicinal Chemistry Expertise
  • Analog design
  • Anti-infectives
  • Cancer
  • Cell permeation
  • Central nervous system
  • Natural products chemistry
  • Nuclear receptor system
  • Opioids
  • Proteases

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