An existing client was interested in an additional, integrated project with Charnwood Discovery to learn more about their lead compound. In collaboration with a third-party external computational chemist our chemistry department arranged a virtual screen of tens of thousands of compounds against their lead compound’s protein target.
From the list of docking hits a set of ~ 100 compounds was identified that would help confirm our ideas about the binding mode of the lead compound and improve our confidence in the model that had been generated for future docking work. This set was purchased and brought in-house.
