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Medicine Design

We are interested in establishing alliances to develop and access novel:

Medicinal Chemistry Synthesis Technology

  • Synthetic technologies that can accelerate the drug discovery process, including high-throughput chemistry, parallel medicinal chemistry, synthetic lab automation, biocatalysis, flow chemistry, photo- and electrochemistry
  • Broadly applicable computational platforms to predict chemical reaction outcomes
  • Synthetic methodologies for late-stage diversification
  • Synthetic methodologies to access small, conformationally constrained multifunctional templates
  • Novel monomers and building blocks in drug-like property space

Medicinal Chemistry

  • Small molecule approaches to expand NCE target space – RNA splicing or translational modulation, non-CRBN and non-VHL mediated strategies for targeted protein degradation, heterobifunctional and/or molecular glue strategies to co-opt post-translational protein modification (i.e., ubiquitylation, deubiquitylation, phosphorylation) and/or induce protein mislocalization, modulation of protein-protein interactions and non-Ro5 compounds
  • Solute ligand carrier, transcription factor, deubiquitylating (DUB) enzyme, phosphatase, RNA binding protein, and biomolecular condensate modulator design and screening technologies
  • Strategies to facilitate the conversion of Ab therapeutics to orally administered therapies
  • New technologies to generate orally available peptides and peptidomimetics
  • AI/ML methodologies to predict novel protein or RNA structures and their complexes with small molecules or other biomolecules
  • Membrane protein structural biology technologies and capabilities, including ion channels, GPCRs and solute carrier proteins
  • DNA-compatible synthetic protocols and DNA backbone modifications that expand currently available methodology for DNA-encoded libraries (DEL). Strategies to screen DEL libraries in cells and/or for membrane proteins.
  • Computational methods for quantitative affinity prediction and molecular dynamics simulation
  • Technologies to identify hits through virtual screening of very large compound collections
  • Ligand-based multi-parametric generative design platforms
  • Systems/chemical biology technologies enabling mechanism determination for phenotypic screening hits
  • Morphological or transcriptional profiling technologies to enable hit expansion and pathway inferences for phenotypic screening

Pharmacokinetics Dynamics and Metabolism (PDM)

  • Translation
    • Translational modeling and simulation approaches, systems pharmacology/PK-PD; deep knowledge of targets/pathways; increased confidence in target drug selection
  • Bioanalysis and biomarkers
    • Novel bioanalytical and cellular imaging techniques
    • Specific biomarkers of ADME DDI liability (both transporter and enzyme biomarkers)
    • Novel methodology for pull-down of tissue specific exosomes
  • Disposition and delivery of therapies
    • Novel commercially viable delivery technologies (oral and non-oral)
    • Biodistribution of nanoparticles at whole organ and cellular level
  • Targeting, prediction and modeling of transporter-mediated disposition and DDIs – small molecules
    • Quantitation and scaling of transporters for input into physiological PK models of tissue penetration and clearance including biliary clearance
  • Novel approaches and technology to achieving selective tissue distribution (including receptor mediated and transporter mediated strategies for therapeutic window enablement
    • Determination of intracellular/sub-cellular unbound concentrations of transported drugs
  • Transformative in vitro assays such as PK and PKPD on a chip
    • Predictive in vitro or in silico absorption (fafg) models
  • PBPK advances in clinical DDI prediction.