Enamine To Support IBM’s OpenPandemics COVID-19 Initiative With Unparalleled Synthetic Capabilities
This summer, IBM has announced collaboration with Scripps Research to provide its World Community Grid for making possible large-scale computational studies towards identifying promising therapeutics against COVID-19. Within the scope of the initiative, called OpenPandemics COVID-19, researchers at The lab of Stefano Forli at the Department of Integrative Structural & Computational Biology of Scripps Research are using IBM’s World Community Grid for large-scale molecular modeling simulations, which test how well various molecules bind to SARS-CoV-2 essential viral proteins.
The World Community Grid powers the simulations using donated computing resources from idle Android phones, desktops, and laptops with the free app installed. By using this donated computing power, the scientists aim to identify promising chemical compounds for further laboratory testing.
Enamine’s role in the project will be to synthesize any promising hits identified by the research team at Scripps Research. Enamine is well-positioned to take on this challenging task of helping fight the global pandemics owing to its innovative REAL Database resource - the world’s largest chemical space of synthetically accessible drug-like molecules. The current release of the REAL database comprises over 1.36 billion synthetically accessible molecules which comply with “rule of 5“ and Veber criteria: MW≤500, SlogP≤5, HBA≤10, HBD≤5, rotatable bonds≤10, and TPSA≤140. Enamine can deliver chemical compounds from the REAL database with more than 80% success rate within up to 3 weeks.
The team at OpenPandemics COVID-19 just announced that they are coming close to the first round of lab testing for potential treatments.