How do you drug the undruggable?
This is the question Jon Heal, EVP In Silico at RxCelerate, will tackle in our upcoming webinar, exploring how hidden binding sites can be uncovered in challenging drug targets.
Most structural determination methods provide valuable, but predominantly static structural models of proteins. In reality, proteins shift between different conformational states, some of which may contain previously hidden binding pockets.
Combining molecular dynamics, hotspot mapping and virtual screening, we can explore this conformational landscape and identify novel druggable sites.
Jon will illustrate this approach with a case study identifying functionally active ligands to Eotaxin-1, a chemokine with no known small molecule binders.