FragLites Screen (DMSO)
- Name Michael J Waring ; Martin E M Noble ; Daniel Wood ; Mathew Martin ; Duncan C Miller
- Institute Northern Institute For Cancer Research, Newcastle University
Tool name: FragLites Screen (DMSO)
Tool type: Small molecules
Description: The FragLites screen consist of a set of 31 compounds designed to express a pharmacophore doublet of two hydrogen bond acceptors or a donor and an acceptor displayed on an aromatic scaffold and incorporating a heavy halogen atom. This set allows the mapping of a protein surface for productive drug-like interactions by X-ray crystallography and unambiguous identification of binding events by observing the anomalous dispersion.
This method can be used to assess druggability and provide potential start point for lead discovery in very short timescales and with minimal screening. Validation of the approach has been established using CDK2 protein as a model system
Research area: Cancer ; DNA Damage and Repair
- For Research Use Only
- • Wood et al. 2019. J Med Chem. 62(7):3741-3752. PMID: 30860382.