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Cambridge MedChem Consulting

Deconstruction of a screening hit

One strategy to investigate screening hits is to simplify the structure to identify the minimum pharmacophore . Whilst lower in affinity the result will have lower molecular weight and LogP. Indeed the molecule may now occupy "fragment space". When I presented this at the recent Fragments meeting a member of the audience coined the phrase "Deconstruction of a screening hit" and several people used the phrase subsequently so perhaps it will used in the future.

Details are here Deconstruction of a screening hit.