Integration of Mcule’s purchasable compound library in Blaze™ virtual screening platform provides greater chemical diversity for outsourced projects

20 May 2021
Edward Carter
Publishing / Media

Product news

Cresset Discovery Services has announced 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.

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Chem / BioinformaticsCheminformatics and bioinformatics are computational techniques used in chemistry and biology, respectively, for data acquisition, processing and storage. Cheminformatics focuses on compound information, whereas bioinformatics is mainly applied to analysis and modeling of genomics, genetic and sequencing information. Hardware and software is available for data acquisition, analysis, management and storage.Molecular Recognition SoftwareMolecular recognition software is widely used to analyze DNA, RNA, proteins and chemicals. The software can be useful for graphical viewing, comparative analyses, high-throughput screening, genomics, proteomics and phylogenetics. Molecular recognition software uses bioinformatics tools and analyses such as BLAST searches and generates structural predictions, 3D structures and sequencing information.Compound LibrariesCompound libraries, or chemical libraries, are used in drug discovery for the identification of potential therapeutics compounds. Used in conjunction with high-throughput screening, the libraries of stored compounds are often generated for specific purposes as a drug target or disease model. Cheminformatics are commonly used when designing a compound library and software can be used to analyze the screening process.  Drug DiscoveryDrug discovery is the process of identifying potential new medications, involving stages such as target identification, compound screening, and preclinical development. It relies on cutting-edge technologies like high-throughput screening, artificial intelligence, and molecular modeling to accelerate the identification of drug candidates. Drug discovery plays a pivotal role in developing new therapies for diseases ranging from cancer to rare genetic disorders. Browse our peer-reviewed product directory to find the latest drug discovery technologies, compare options, check customer feedback, and get pricing directly from manufacturers.Compound ScreeningCompound screening is a method used to discover specific compounds that could be promising candidates for pharmaceutical use. This potential is identified when compounds interact with the target protein during screening and could therefore be carried forward in the drug development process.Drug DevelopmentDrug development refers to the process of bringing a new drug to market.
Integration of Mcule’s purchasable compound library in Blaze™ virtual screening platform provides greater chemical diversity for outsourced projects