Single Molecules

Data driven, AI-enhanced drug discovery

Drug discovery

  • Identify approved drugs that target these proteins.
  • Dimensionality-reduction approaches to design novel drugs, similar to approved ones, targeting specific proteins

Target protein identification

  • Combine the pathways affected by viruses, with disease databases and clinical studies to define biomarkers.
  • Triage the list of possible pathway proteins to identify targets.
  • List of targets thus identified: AT1R, ATIIR, ADAM-17, Hepsin, JAK1, JAK2, ACTB, Replicase

Pathway prediction

  • Scrape Lipidomics and Proteomics databases for proteins affected by SARS CoV-2 and similar viruses
  • Use NLP to extract pathways involved in these changes
  • Classify the pathways – protein folding, membrane organization, lipid oxidation, viral infection, signaling etc

Dr. Tejas Gupte

Program Director – Research

Neuroscientist and program director of research in single molecules.