Idealp Pharma Hit Discovery & Validation

A cheminformatics approach

Starting from available drug-like compounds, we design general or focused libraries - ensuring an optimal compromise between size and diversity. In order to meet the medicinal chemists requirements, we evaluate molecular diversity in terms of the scaffold and not just the data descriptor. We have also designed a novel library of commercially available fragments with lead-like properties. Libraries can be screened in silico, docked and clustered by scaffold to pick up the most likely hits for your target on the basis of either a known pharmacophore or the active site's 3D structure.

Generation of selected chemical libraries

To build custom chemical libraries, Idealp-Pharma masters standard multisteps synthesis, parallel synthesis and the purification and analysis of small molecules. We prepare focused libraries of hundred of compounds on the mg to 100 mg scale. Up to tens grams of reference compounds and scaffolds of interest (either known or new) can also be prepared. We can also acquire selected compounds from commercial sources. Purification is performed with automated and semi-preparative LC/MS

Primary screening

We are equipped for and experienced in transfering primary screening assays into our labs and assessing a compound’s activity using in vitro methods and cell-based assays including assay design and set-up. Our multi-technology platform can screen up to a thousand compounds a day. For cell-based assays, we have built a bank of cell lines and we are able to cultivate fibroblasts from different sources.

IP and chemical space evaluation

Depending on the status of your project and your IP situation, we can also evaluate chemical space by focusing our chemistry on patent expansion and protection.

Measurement of physical-chemical properties
We can evaluate pKa and assess kinetic solubility and stability. Our biology capabilities allow us to rapidly assess solubility in medium and culture buffer for initial biological hit validation