Efficient hit finding approaches for HMTs – the key parameters (M111)

Ahrens T, Beyer KS, Bergner A, Fasler S, Hafenbradl D

For many novel targets the chemical ligand space and structural information is largely unknown. Hit finding campaigns are therefore dependent on large chemical diversity. In the specific case of histone methyl transferases (HMTs) we have been able to apply an efficient process of intelligent selection of screening subsets for primary screening, rather than screening the full diverse deck. The information from this primary screening is fed back into the selection of subsequent screening sets. Through this knowledge-driven hit expansion, hit rates are significantly increased. The hit finding approaches have led to novel chemotypes which facilitate novel hit-to-lead projects. For the validation of hit series several orthogonal assay technologies are used. Based on a case-study, successful assay development and HTS with this iterative compound selection strategy will be demonstrated.

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