Analyze SAR and property data

Analyzing SAR and property data is a core expertise for Cresset Discovery Services (CDS). We have experience working with a wide range of different targets, including fragrances, flavors, standard pharmaceutical reagents and anti-fungal agents. Our XED force field analysis of molecules gives you unique insight into the source of activity of your molecules. When we... Read More…

User Group Meetings 2016 review

The Cresset 2016 North American and European User Group Meetings combined presentations and workshops in Cambridge, MA and UK respectively. A large and diverse group of scientists gathered to share ideas and experiences in the latest computational approaches to the design and optimization of small molecules. As well as talks from invited speakers from the... Read More…

Using services to evaluate software

Evaluating new computational chemistry software requires a significant investment of time. No matter how helpful the sales team is, nor how many demonstrations you have seen, what really counts are the results you get when you try the software out on your own project data. And this is what takes the time. An innovative alternative... Read More…

Flavors, fragrances and force fields: Using pharma methods to sniff for substitutes

Computational methods that analyze how drugs interact with protein targets are also effective for flavor and fragrance molecules. Applying pharmaceutical discovery methods to flavors and fragrances Molecular fields and virtual screening Utility of molecular fields for analyzing flavor and fragrance bioactivity Pharma potential When looking for new synthetic flavors or fragrances, the starting point could

Read More…

Cresset to distribute BioMolTech protein preparation and docking software worldwide

Cambridge, UK – 15th June 2016 – Cresset, innovative provider of software and contract research services for small molecule discovery and design, is pleased to announce partnership with BioMolTech for the exclusive global distribution and support of BioMolTech’s Lead Finder docking software. Lead Finder is a software solution for virtual screening of candidate molecules and

Read More…

Identifying possible protein targets

An academic group had identified a molecule that was active in a phenotypic assay. Due to its similarity to other compounds, they initially thought it was acting through a known pathway. However, further work revealed it was acting through a different pathway. The challenge was to identify the protein target. They chose a computational method... Read More…

New Spark eMolecules reagent databases enable researchers to tie bioisosteric replacement ideas to reagent availability

Synergy between technologies speeds up drug optimization cycle Cambridge, UK – 7th June 2016 – Cresset, innovative provider of software and contract research services for small molecule discovery and design, is pleased to announce the release of the new Spark reagent databases based on available compounds from eMolecules. This will enable researchers to use Spark

Read More…

An incredibly cost effective way of finding a chemical starting point

Many customers engage Cresset Discovery Services (CDS) to find a chemical starting point for their project. The input could be a competitor compound, a peptide, or a compound that is unsuitable for development for toxicity or patent reasons. Cresset computational methods are an extremely cost effective way of identifying promising candidate compounds. Identifying a patentable... Read More…

May 2016 newsletter

North American User Group Meeting Date: June 1st Venue: Novartis, Cambridge, MA Presenting companies: Boehringer Ingelheim, Broad Institute, Novartis, Cresset Last chance to register   European User Group Meeting Scientific program: June 16th Workshops: June 17th Venue: Granta Centre, Cambridgeshire, UK Presenting companies: Boehringer Ingelheim, Eli Lilly, GlaxoSmithKline, Monsanto, Novartis, Takeda, University of Hertfordshire, Cresset

Read More…

Using the Spark reagent databases to identify bioisosteric R-group replacements

Giovanna Tedesco Cresset, New Cambridge House, Bassingbourn Road, Litlington, Cambridgeshire, SG8 0SS, UK Abstract The reagent databases1 available with Cresset’s Spark2 software for bioisosteric replacement were used to identify alternative decorations for a series of triazolopyridazine and 8-fluorotriazolopyridine selective inhibitors of the c-Met Kinase. The use of databases derived from available reagents ensured that the... Read More…