We collaborate with the DEL community to continuously design and access novel chemical space and update our Scaffolds and Capping Agents Collections.
DNA-Encoded Libraries technology (DELt) is a recent screening technique used in early discovery for target validation and hit identification. The technology, based on the linkage of a small molecule to an identifier DNA code, allows the screening of billions of compounds simultaneously.
DEL include large collections of organic molecules, individually coupled to DNA fragments, serving as amplifiable identification barcodes.1,2 In principle, a core molecule, or scaffold, serves as a centerpiece. It typically has 2 to 4 exit vectors for coupling of additional handles and diverse libraries of peripheric groups (one of them is used to link to the DNA fragment). This means that around each core, small focused libraries of hundreds of compounds become available and are screened at the same time. The result is a direct read out of an early SAR (Structure-Activity Relationship), which is not possible in a standard HTS. It therefore generates hits that are already very advanced and hopefully require less follow-up chemistry for efficacy. It is still necessary to do such follow-up optimization for the ADME part though …
It is important to note that scaffold diversity is very important. The decoration of those scaffolds being often automatized, the real novelty comes from the design of the scaffolds themselves. And there, there are only very few limitations. In fact, it is amazing how diverse the transformations can be despite the presence of the DNA linker and the reactions are performed in water. This gives a lot of opportunities for the creative scaffold designer to let his/her imagination go and deliver conformationally restricted scaffolds that open new uncharted territories of chemical space.
At SpiroChem, to expand the limits of the known and bring innovation to the DEL community, we design and prepare novel scaffolds with a particular attention to:
Please contact us to get access to our database of in-stock scaffolds and virtual scaffolds (with high predicted success rate as their design is based on our in-house expertise).
We offer a very diversified set of capping agents with valuable intrinsic properties. They enable fast generation of smart focused libraries of hundreds of compounds which, after testing, will provide valuable early SAR (Structure-Activity Relationship).
Thanks to the design of the core scaffolds and the selection of the capping agents, the generated hits have already advanced properties and hopefully will require less follow-up chemistry and optimization than hits obtained after classical HTS campaigns.
Our Spirokits of focused analogs of standard medicinal motifs, such as analogs of morpholines, piperazines, small lipophilic amines (to name a few) allow for an efficient decoration of any scaffold and the creation of efficient libraries for ADME exploration.
Contact us to help you create a new library with unexplored chemical space.