Lead Optimization

InhibOx carried out a lead optimization project with Lauras AS, a Norwegian biotechnology company, to help advance its drug discovery pipeline.

Starting from the existing SAR and available structural data, InhibOx used its proprietary virtual screening platform and expertise to derive structural and QSAR models which rationalized the activity of the known leads and identified novel compounds for synthesis.

In addition to novelty, these new compounds offer other potential advantages over previously existing leads.

DrugFinder Refine

Lead Optimization projects frequently require an even tighter collaboration between computational and experimental scientists in a search for the correct balance between optimization of affinity with ADMET and pharmaceutical properties.  InhibOx can produce targeted library designs in collaboration with your chemistry teams. We explore the widest possible accessible chemical space through our Scopius database system in combination with your in-house data and synthesis infrastructure.  We are also experts in physically realistic simulation technologies that can provide the accuracy required at the optimization stage.

Every project is tailored to your specific requirements.  Contact us to learn how we can help you succeed.

Figure 1: DrugFinder Refine — optimizes substituents and scaffolds of lead molecules