title: Efficiency of hit generation and structural characterization in fragment-based ligand discovery.
abstract: Fragment-based ligand discovery constitutes a useful strategy for the generation of high affinity ligands with suitable physico-chemical properties to serve as drug leads. There is an increasing number of generic biophysical screening strategies established with the potential for accelerating the generation of useful fragment hits. Crystal structures of these hits can subsequently be used as starting points for fragment evolution to high affinity ligands. Emerging understanding of the efficiency and operative aspects of hit generation and structural characterization in FBLD suggests that this method should be well suited for academic ligand development of chemical tools and experimental therapeutics.
authors: School of Biological Sciences, Nanyang Technological University, 61 Nanyang Drive, Singapore 639798, Singapore.
authors: Andreas
authors: A
authors: Larsson
authors: Anna
authors: A
authors: Jansson
authors: Anders
authors: A
authors: Åberg
authors: Pär
authors: P
authors: Nordlund
mesh_terms: D019295:Computational Biology; D018360:Crystallography, X-Ray; D055808:Drug Discovery; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D004526:Efficiency; D006801:Humans; D008024:Ligands; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D054852:Small Molecule Libraries / Q000737:chemistry*
chemical_list: D008024:Ligands; D011506:Proteins; D054852:Small Molecule Libraries