Rapid quality drug discovery
We are a pre-clinical drug discovery company. We have developed a powerful platform that includes a target-based generative AI program to create high probability hit compounds.
We can then synthesize and test the compounds through all of the pre-clinical steps.
What target would you like us to work on for you?
Computer aided drug design is an important tool to help medicinal chemists generate new compounds that fit a binding site. In addition to our own projects, we can provide the following services to help in your drug discovery program:
Computational Chemistry:
- Docking
- Covalent docking
- Structure/fragment-based drug design
- Molecular dynamics
- SAR analysis
- Pharmacophore analysis
- Homology modeling
- Virtual screening
- Molecular fingerprints
- Protein-protein interactions
- Molecular glue development
AI tools:
- Allosteric/exo site discovery
- Binding site affinity mapping
- Generative target-based compound hit searching
Why use our AI?
- Target based - no need for training molecule set
- All compounds are scored by docking energy - so they have a high probability to bind
- Original IP
AI generated affinity maps are a strong tool for drug discovery. By scaning over the whole protein, allosteric and substrate sites can be identified along with the binding site. The maps help hit to lead modifications to improve docking energy.
With 10^60 posible druglike compounds, the more discovery tools the better.
See case studies for powerful AI generated hit finding.
AI generated affinity map of HIV protease
Crystal structure of fragment in exo site
with affinity map overlap
Heat map of affinity Red = high, Blue = low
Lab Services:
- Compound synthesis
- Binding assays
- Activity assays
- ADME/Toxicology studies
- Animal testing
