Tools & Technologies

in silico Drug Discovery

Icagen made a significant commitment into in silico Drug Discovery with its July 2016 acquisition of Sanofi’s facility in Tucson, Arizona. Alongside integration of another deeply experienced team of scientists, we acquired one of the market’s most significant high-performance computational suites for in silico drug discovery. However, the acquisition of advanced software suites and massive computing capabilities are available to anyone with resources they are willing to invest. What makes the real difference is experience.

Icagen has almost 25 years of experience in drug discovery and now we are bringing in silico approaches to our existing platform, greatly reducing the time it takes to bring a candidate to IND. We are pursuing goals to bring this down to 18-24 months. The scientists at Tucson have long tenure as a collaborative group and a very high level of collective expertise with in silico drug discovery, which positions Icagen as a Target-to-Lead generation company at a time when there is a significant gap in the market for quality leads.

Library/Chemical Space Design

  • Bio-relevant chemical space elucidation and molecular recognition analysis
  • Design of compound collections (targeted & drug like, Phenotypic – MOA)
  • Macrocycles, Carbohydrates, Covalent modifiers, Peptides

Virtual screening

  • Sophisticated molecular dynamics & ensemble docking approaches
  • Over 3 million internal and 7 million external compounds can be screened
  • Proprietary chemspace normalization methods
  • 10+ years of methods development with documented successes

in silico optimization

  • Data mining and Chemoinformatics
  • 2D and 3D QSAR model development for SAR hypotheses
  • Predictive poly-pharmacology, and ADME parameters
  • Free energy of binding predictions