Medicinal Chemistry – Hit2Lead

Facility part of the DDD platform

The Medicinal Chemistry - Hit2Lead facility identifies promising early small molecule leads for further optimization. Initial chemical hits can be obtained from high-throughput screening (HTS) capabilities available at CBCS, through fragment-based drug discovery (FBDD) technologies, as well as through rational drug design. Within Medicinal Chemistry the aim is to have dedicated scientists working together with different academic groups to identify lead compounds with a promising profile for proof-of-concept animal studies. Please contact us for a discussion around your ongoing research. We work closely together with our chemistry colleagues in Uppsala, http://www.scilifelab.se/facilities/lead-identification-chemistry

SERVICES

  • Access to >200.000 compounds for screening
  • Organic synthesis of bioactive small molecules
  • High-speed synthesis capabilities
  • Compound characterization, structure determination and purity analysis
  • Separation of enantiomers on an preparative scale

  • Medicinal chemistry expertise
  • Identification and synthesis of analogues to expand hit series
  • Selection and purchase of compounds to make a hit more leadlike
  • Prioritization of compounds for proof-of-concept animal studies
  • Competitive intelligence
  • Molecular Modelling and Computer-based drug design
  • Quantitative structure-activity relationships and cheminformatics
  • Virtual screening

EQUIPMENT

  • A laboratory equipped for organic synthesis
  • Access to a large amount of chemical reagents
  • Microwave reactor
  • H-Cube mini for flow hydrogenation

  • Automated flash chromatography systems
  • Preparative HPLC instruments (including an SFC for chiral separation)
  • NMR spectrometer
  • Analytical LC-MS
  • Small-molecule drug discovery and protein modeling software suits
  • High-level computational in-house capacity