Fragment-based screening is now well-established as a powerful approach to early drug ("lead") discovery.
The MiniFrags, designed by Astex, are a set of small molecules representing the minimal pharmacophores able to capture the maximum amount of interactions in a protein. Whilst this library is available, the soaking conditions are still under evaluation. Screens have so far been conducted at 1M in DMSO.
O'Reilly, M., et al. Crystallographic screening using ultra-low molecular-weight ligands to guide drug design. Drug Discovery Today, (5) 1081-1086 (2019) (link to paper)
Diamond Light Source is the UK's national synchrotron science facility, located at the Harwell Science and Innovation Campus in Oxfordshire.
Copyright © 2020 Diamond Light Source
Diamond Light Source Ltd
Harwell Science & Innovation Campus
Diamond Light Source® and the Diamond logo are registered trademarks of Diamond Light Source Ltd
Registered in England and Wales at Diamond House, Harwell Science and Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom. Company number: 4375679. VAT number: 287 461 957. Economic Operators Registration and Identification (EORI) number: GB287461957003.