Technology Platform

Ansaris Approach Solves Critical Drug Discovery Challenges

Torsion Space Dynamics for Fast and Accurate Protein Modeling

Acquisition of Protein Mechanics included a proprietary torsion-space algorithm for protein modeling

Technology adapted from mechanical engineering; model motion via 'natural' bond rotations

Enhanced Features:

• Increased speed and reliability of molecular dynamic (MD) simulations
• Unprejudiced by the rigidity of crystallographic protein conformations
• Normal modes that define low energy domain motion

Enables:

• Identification of novel binding sites
• Relaxation of protein structure or model
• Evaluation of ligandeffect on binding pocket shape, size and motion

Ansaris Technology Provides Greater Chemical Diversity than HTS

Licensed a virtual fragment-based drug design platform from Sarnoff

Enhanced Features:

• 15,000 fragments in database; ability to easily add new fragments
• Conformational isomers treated as additional fragments
• Water evaluated as a fragment
• Not limited by physical properties of the fragment

Enables:

• Rapid exploration of unprecedented chemical diversity
• Increased access to novelty and patentability

Ansaris Technology Provides Basis For Rapid And Complete Interrogation Of Binding Sites: Free Energy Calculations

Connecting Fragment Distributions: A Breakthrough in the Drug Design Paradigm

• "Reducing theory to practice"*
  * Jencks, Proc Nat AcadSci 1981
• Full fragment binding distributions computed for contiguous pockets
• All poses consistent with bond geometry tolerances linked
• Energy integrated over all poses of linked fragments*
  *Clark et al, J ChemInfMod 2009

The Ansaris Drug Discovery Process