Lead Identification

As part of its DrugFinder initiative, InhibOx collaborated with the group of Dr. Angela Russell of the Departments of Pharmacology and Chemistry, at the University of Oxford. Taking an oncology kinase target as its starting point, InhibOx performed virtual screening of CSpace, using our database of commercially available molecules and our proprietary software platform to identify inhibitors for experimental screening. 

Subsequent experimental assays confirmed the identification of compounds of great interest, which are being actively pursued.

DrugFinder Lead

Whatever your starting point: a failed HTS, sub-optimal or IP constrained existing in-house leads, or literature data on a few (maybe only one) known ligands, InhibOx can apply approaches from its CADD Array that will assist in identifying novel chemical scaffolds and advancing your project.  The choice of which combination of technologies to apply - from shape, fragment, property, or pharmacophore approaches - will be driven by the starting information and your goals.

When you have data on the structure of your macromolecular target, we have the technology, know-how, and computational resources to investigate thoroughly the bioinformatics landscape, including the conformation flexibility of your target and issues related to target selectivity.  The aim is to provide the highest quality analysis and the greatest diversity of novel chemical matter for onward consideration.

For those with limited internal chemistry resources we can include access to screening materials via our alliances with MolPort and Librarion.

Figure 1: DrugFinder Lead – a flexible and robust technology for lead identification