Streamlining molecular discovery
Dr Martin Slater, Director of Consulting Services, discusses where outsourcing computational chemistry can complement internal research and gives insight into ...
Cambridge, UK – 11th May 2021 – Cresset Discovery Services, a contract research organization (CRO) for early phase small molecule discovery, and Mcule, provider of an online compound database, announces that Cresset Discovery Services now has access to Mcule’s purchasable compound library thorough the Blaze™ virtual screening platform.
Virtual screening is a powerful tool to sample adequate chemical diversity, and is far more cost effective than wet HTS. The Blaze platform enables research chemists to dramatically increase their wet screening hit rate at a fraction of the cost. It uses the electrostatic and shape character of known ligands to rapidly search large chemical collections for molecules with similar properties. A virtual screen of 10 million structures just takes a few hours.
“Inclusion of the Mcule database in Blaze provides users with greater chemical diversity. They benefit from the availability of compound plating on request, and rapid updates via the Mcule API, thus streamlining their procurement process,” says Dr Mark Mackey, Chief Scientific Officer at Cresset. “Cresset Discovery Services have carried out thousands of searches across hundreds of projects using Blaze with consistent success and hit rates as high as 30%.”
“The Mcule database is a frequently updated collection of supplier catalogs. With the in-stock set of Mcule database integrated into Blaze, scientists can easily acquire their hits in an assay-ready format from a single source. This synergy will shorten the time of many projects across the industry,” says Robert Kiss, CEO at Mcule.