Efficient large-scale exploration of fragment hit progression by exploiting binding-site purification of actives (B-SPA) through combining multi-step array synthesis and HT crystallography.
Harold Grosjean,
Anthony Aimon,
Storm Hassell-Hart
et al.
Abstract:Fragment approaches are long-established in target-based ligand discovery. Nevertheless, their full transformative potential lies dormant, because progressing hits to potency remains difficult and underserved by methodology developments, which mostly focus on screening. The only credible progression paradigm is conventional design-make-test analyse (DMTA) medicinal chemistry, which is costly and thus necessitates picking winners early, thereby effectively discarding all the other hits. We here demonstrate the … Show more
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