OpenEye Scientific Partners with Enamine to Accelerate Early Drug Discovery

Posted by OpenEye Scientific on September 9, 2021 — Topics: News, Release

SANTA FE, N.M., USA, & KYIV, Ukraine – September 9, 2021 – OpenEye Scientific and Enamine, a leading global provider of billions of new screening compounds to the drug discovery market, are partnering to enable faster and more accurate virtual screening of ultra-large compound libraries through access to innovative software.

Using Orion®, OpenEye’s cloud-native molecular design platform, scientists can:

  • Use state-of-the-art 3D and 2D techniques to search and analyze more than 3.6 billion stereo-enumerated molecules with 36Logo(Enamine)_CMYK[1] billion conformers, generated from available compounds in Enamine’s purchasable REAL® Database
  • Identify promising drug-like molecules from billions of compounds in as little as 30 minutes and at a fraction of the cost of in vitro high-throughput screening assays

Enamine commits to manufacture at least 80 percent of any selection from those molecules, leading to:

  • Completion of the manufacturing process within 3-4 weeks
  • Acceleration of the hit-finding process, meaning more new drugs get to market quicker

Matthew Geballe, Vice President of Product at OpenEye Scientific, said:

  • “This collaboration brings benefits to everyone involved. When you consider the old-fashioned way of manual screening with a million molecules in plastic trays, what we are doing with Enamine is really revolutionary.”
  • “Giving OpenEye customers access within Orion® to Enamine’s turnkey, professionally prepared, and continuously updated database with billions of compounds will help our customers select candidates much earlier in the discovery process.”

OpenEye’s Orion® molecular design platform uses:

  • The power of hundreds to tens of  thousands of CPUs and GPUs through Amazon Web Services to provide the fault-tolerant computational capacity required to meet significant scientific and large-scale virtual screening demands

Michael Bossert, Head of Strategic Alliances at Enamine, said:

  •  “We are happy to partner with OpenEye and conveniently provide our REAL® Database for virtual screenings within Orion®.”
  • “Complex tasks of finding and optimizing lead compounds can be efficiently performed using various available toolkits in this molecular design platform. However, researchers do need to be sure that their identified valuable molecules will be actually tested in the lab. At Enamine we have worked hard to assure high systematic success rate of synthesis, which in many cases attains 100% within just 3-4 weeks.”

Topic: News, Release