Fragment-based hit identification: thinking in 3D.

By A. Morley, A. Pugliese, K. Birchall, J. Bower, P. Brennan, Nathan Brown, Tim Chapman, M. Drysdale, I. Gilbert, S. Hoelder and 6 more. 2013

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A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets (2015, background): “While the increased complexity of 3D compounds could potentially lower hit compound numbers, the group is hopeful that the resulting leads will explore more biologically relevant chemical space and lead to better starting molecules for drug design (38).”
Twenty years on: the impact of fragments on drug discovery (2016, background): “Some propose that fragments exhibiting more ‘3D features’ have a higher probability of inter-acting with binding sites involved in protein–protein interactions and a lower tendency toward promiscuous binding 36 .”
Key Topics in Molecular Docking for Drug Design (2019, background): “Fragment libraries usually contain 102 to 104 molecules, which are generally compliant with the RO3 and are idealised to maximise attributes such as solubility, chemical stability, scaffold complexity, tri-dimensionality and tractability [151,153,154].”