ArticleMethods in enzymology2011
Fragment screening of infectious disease targets in a structural genomics environment.
Article in Methods in enzymology, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed, 7 citations in OpenAlex.
- Naegleria fowleri: Protein structures to facilitate drug discovery for the deadly, pathogenic free-living amoeba.PloS one · 2021Article
- Recent contributions of structure-based drug design to the development of antibacterial compounds.Current opinion in microbiology · 2015Review
- Structural genomics of infectious disease drug targets: the SSGCID.Acta crystallographica. Section F, Structural biology and crystallization communications · 2011Article
- Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.Acta crystallographica. Section F, Structural biology and crystallization communications · 2011Article
- Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.Journal of structural and functional genomics · 2011Article
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Authors and funding
8 authors at 2 institutions in 1 country.
Funding
Abstract
Structural genomics efforts have traditionally focused on generating single protein structures of unique and diverse targets. However, a lone structure for a given target is often insufficient to firmly assign function or to drive drug discovery. As part of the Seattle Structural Genomics Center for Infectious Disease (SSGCID), we seek to expand the focus of structural genomics by elucidating ensembles of structures that examine small molecule-protein interactions for selected infectious disease targets. In this chapter, we discuss two applications for small molecule libraries in structural genomics: unbiased fragment screening, to provide inspiration for lead development, and targeted, knowledge-based screening, to confirm or correct the functional annotation of a given gene product. This shift in emphasis results in a structural genomics effort that is more engaged with the infectious disease research community, and one that produces structures of greater utility to researchers interested in both protein function and inhibitor development. We also describe specific methods for conducting high-throughput fragment screening in a structural genomics context by X-ray crystallography.
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Registered trials
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