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. Cresset computational methods are an extremely cost effective way of identifying promising candidate compounds.
A pharmaceutical company was working on a particular target, but the only activity they had found was from a competitor compound. They engaged Cresset Discovery Services to find an alternative chemical starting point for their project.
The first step was to generate a binding hypothesis for the competitor compound. This was used as input to a virtual screen in order to identify other compounds with a strong likelihood of having similar activity.
This short and efficient project resulted in a chemical starting point for the customer’s project. The final chosen compound was highly active, was different
As part of a longer ongoing contractual agreement, a customer purchased flexible service days from Cresset Discovery Services and used them on this project over a 12 month period.
The customer was working on a novel ion channel target and they knew of two competitor compounds. Cresset Discovery Services aligned the compounds and generated a number of alternative alignment hypotheses. We then carried out a virtual screen on the most diverse of the permutations, leading to 30 different chemotypes, which the customer was able to pursue. This resulted in a promising, patentable chemical starting point for their project.
Our methods are an incredibly cost effective way to identify promising candidate compounds. For less than $25k for the actual computational chemistry work, plus the same again for the procurement and initial testing, our client had a promising, patentable chemical starting point for their project.
Dr Martin Slater, Director of Cresset Discovery Services
Another customer had identified a series of peptides that block the aggregation of β-amyloid. They engaged Cresset to identify drug-like chemotypes to mimic this activity. See the full case study: A novel series of non-peptide small molecules for protein-protein interactions.
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