Discovery Platforms Integrating Ultrahigh-throughput Experimental Screening with Machine Learning and Computational Biophysics

DNA-Encoded Libraries : New Chemical Entities

• Ultrahigh-throughput drug discovery using DNA-encoded library (DEL) techniques. Mixture of various molecules identified by the code of life : DNA
• Orders of magnitude larger and faster than traditional high-throughput small molecules screening: DEL HTS : 50 experiments to test 1 million compounds for 50 specific targets, compare to 50 millions experiments with classical methods

‣ chemists and biologists team dedicated to generate DNA libraries with ‘split and pool’ and/or perform selection with protein targets

‣ dedicated laboratory to perform chemistry and biology experiments as well as massively parallel NGS sequencing and data analyses

‣ Integration with computational biophysics and machine learning methods to accelerate optimization of small molecule designs compared to DEL alone

Applications

• Identification of new small molecules binding to a target biomacromolecule and exert a desired pharmaceutical effect (inhibition, activation, or protein degradation)
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  Enabled CCM Bio Rx Programs:
  
  
  • Sirtuin Activators, a unique mode of upregulation of a class of enzymes that are a master regulators involved in both age-related metabolic conditions and neurodegenerative disorders – CCM-SRX
  • PROTACs for Receptor Tyrosine Kinases, a recently developed, superior strategy for overcoming resistance to some of the biggest blockbuster cancer drugs through targeted protein degradation – CCM-EGX
  • cGAS Inhibitors, Direct KRAS Inhibitors & Translational Readthrough Compounds discovered through virtual screening, molecular dynamics simulation, & machine learning (QSAR)