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
Last chance to register
 

Using the Spark reagent databases in lead optimization for c-Met inhibitors

Cresset’s Spark software for bioisosteric replacement now includes reagent databases based on eMolecules building blocks. This case study describes how Spark was used to identify alternative R-groups for selective inhibitors of the c-Met Kinase. Using the eMolecules reagent databases ensured that results were tethered to molecules that are readily synthetically accessible.
 
 

Spark keyboard shortcuts

• Guide to shortcuts for the main Spark GUI
• The Spark molecule editor also has an extensive set of keyboard shortcuts that make drawing molecules more efficient. See shortcuts for the molecule editor.

Finding a chemical starting point

Many customers engage Cresset Discovery Services 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. Martin Slater explains how Cresset computational methods are an extremely cost effective way of identifying promising candidate compounds.
 

Where are the gaps in your data?

In drug discovery, data is king. Gathering the right information makes it easier to design better compounds, faster. How can you be sure that you are getting the most out of your SAR data? And how easy is it to see where the gaps are in your data? Read Giovanna Tedesco and Katriona Scoffin’s article Where are the gaps in your data? published in International Pharmaceutical Industry.